[Obo-diffs] New chebi Definition Changes
jen...@ladle.lbl.gov
The definitions of the following chebi terms changed as of 1 Oct 2017:
CHEBI:1296 : 20-hydroxycholesterol
OLD: An oxysterol that is cholesterol substituted by a hydroxy group at position 20.
NEW: An oxysterol that is cholesterol substituted by a hydroxy group at position 20.
CHEBI:136627 : hydroperoxyicosatrienoic acid
OLD: Any trienoic fatty acid carrying a single hydroperoxy substituent.
NEW: A hydroperoxy fatty acid that is any icosatrienoic fatty acid carrying a single hydroperoxy substituent.
CHEBI:137582 : 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl]-sn-glycero-3-phosphocholine
(was 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine)
OLD: A HETE-LPC that is the ammonium betaine of 2-[(11R)-hydroxy-(5Z,8Z,12E,14Z)-eicosatetraenoyl]-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (11R)-hydroxy-(5Z,8Z,12E,14Z)-icosatetraenoyl.
CHEBI:137583 : 2-[(15R)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine
(was 2-[(15R)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-sn-glycero-3-phosphocholine)
OLD: A HETE-LPC that is the ammonium betaine of 2-[(15R)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (15R)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl.
CHEBI:137584 : 2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]-sn-glycero-3-phosphocholine
(was 2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-sn-glycero-3-phosphocholine)
OLD: A HETE-LPC that is the ammonium betaine of 2-[(15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoyl]-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (15S)-hydroxy-(5Z,8Z,11Z,13E)-icosatetraenoyl.
CHEBI:137585 : 2-[(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl]-sn-glycero-3-phosphocholine
(was 2-(prostaglandin E2)-sn-glycero-3-phosphocholine)
OLD: A prostanoid-LPC that is the ammonium betaine of 2-(prostaglandin E2)-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oyl
OLD: A bile acid anion that is the conjugate base of allocholic acid; major species at pH 7.3.
NEW: A bile acid anion that is the conjugate base of allocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137662 : allodeoxycholate
(was allodeoxycholate(1-))
OLD: A bile acid anion that is the conjugate base of allodeoxycholic acid; major species at pH 7.3.
NEW: A bile acid anion that is the conjugate base of allodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137687 : (24S)-hydroxycholestanol
OLD: A cholestanoid that is cholestanol substituted by a beta-hydroxy group at position 24.
NEW: A cholestanoid that is cholestanol substituted by a hydroxy group at position 24S.
CHEBI:137693 : rhosin
(was Rhosin)
OLD: (quinoxalinylmethylidene-D-Tryptophanyl)hydrazide that directly targets Rho GEF binding domain, thereby prevents Rho from interacting with its GEFs
NEW: A D-tryptophan derivative obtained by formal condensation of the carboxy group of D-tryptophan with the amino group of (quinoxalin-6-yl)methylidenehydrazide. It directly targets the Rho GEF binding domain, thereby preventing Rho from interacting with its GEFs
CHEBI:137694 : (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane dihydrochloride
(was H-1152 dihydrochloride)
OLD: ATP-competitive inhibitor of Rho kinase (ROCK)
NEW: A hydrochloride salt resulting from the reaction of (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane with 2 mol eq. of hydrogen chloride. An ATP-competitive inhibitor of Rho kinase (ROCK).
CHEBI:137724 : 7-oxotaurolithocholate
(was 7-oxo-taurolithocholate)
OLD: A cholanic acid conjugate anion that is the conjugate base of 7-oxo-taurolithocholic acid; major species at pH 7.3.
NEW: A cholanic acid conjugate anion that is the conjugate base of 7-oxotaurolithocholic acid, obtained by deprotonation of the sulfonic acid group; major species at pH 7.3.
CHEBI:137732 : 5-carboxy-dCMP(2-) residue
(was 5-carboxyl dCMP(1-) residue)
OLD: An organic anionic group obtained by deprotonation of the phosphate OH group of 5-carboxyl dCMP residue; major species at pH 7.3.
NEW: An organic anionic group obtained by deprotonation of the phosphate and carboxy groups of 5-carboxy-dCMP residue; major species at pH 7.3.
CHEBI:137740 : UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine(1-)
(was UDP-3-O-((3R)-hydroxyacyl)-alpha-D-glucosamine(1-))
OLD: Major microspecies at pH 7.3.
NEW: A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of any UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine. Major microspecies at pH 7.3.
CHEBI:137748 : UDP-2-N,3-O-bis[(3R)-3-hydroxyacyl]-alpha-D-glucosamine(2-)
(was UDP-2-N,3-O-bis((3R)-3-hydroxyacyl)-alpha-D-glucosamine(2-))
OLD: Major miscrospecies at pH 7.3
NEW: A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of any UDP-2-N,3-O-bis[(3R)-3-hydroxyacyl]-alpha-D-glucosamine. Major miscrospecies at pH 7.3
CHEBI:137789 : 7,12-dioxolithocholate
(was 7,12-dioxo-lithocholate(1-))
OLD: A bile acid anion that is the conjugate base of 7,12-dioxo-lithocholic acid; major species at pH 7.3.
NEW: A cholanic acid anion that is the conjugate base of 7,12-dioxolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137796 : 2,5,6-triamino-4-hydroxypyrimidine
OLD: Major microspecies at pH 7.3.
NEW: A member of the class of aminopyrimidines that is 2,5,6-triaminopyrimidine carrying an additional hydroxy substituent at position 4.
CHEBI:137818 : 7-oxoglycolithocholate
(was 7-oxo-glycolithocholate)
OLD: A cholanic acid conjugate anion that is the conjugate base of 7-oxo-glycolithocholic acid; major species at pH 7.3.
NEW: A cholanic acid conjugate anion that is the conjugate base of 7-oxoglycolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137820 : 7-oxotaurodeoxycholate
(was 7-oxo-taurodeoxycholate)
OLD: A cholanic acid conjugate anion that is the conjugate base of 7-oxo-taurodeoxycholic acid; major species at pH 7.3.
NEW: A cholanic acid conjugate anion that is the conjugate base of 7-oxotaurodeoxycholic acid, obtained by deprotonation of the sulfonic acid group; major species at pH 7.3.
CHEBI:137824 : 7-oxoglycodeoxycholate
(was 7-oxo-glycodeoxycholate)
OLD: A cholanic acid conjugate anion that is the conjugate base of 7-oxo-glycodeoxycholic acid; major species at pH 7.3.
NEW: A cholanic acid conjugate anion that is the conjugate base of 7-oxoglycodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137880 : ursocholate
(was ursocholate(1-))
OLD: A bile acid anion that is the conjugate base of ursocholic acid; major species at pH 7.3.
NEW: A cholanic acid anion that is the conjugate base of ursocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137881 : 3,7,12-trioxo-5beta-cholan-24-oate
(was dehydrocholate)
OLD: A bile acid anion that is the conjugate base of dehydrocholic acid; major species at pH 7.3.
NEW: A cholanic acid anion that is the conjugate base of 3,7,12-trioxo-5beta-cholanic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137882 : 7beta-hydroxy-3,12-dioxo-5beta-cholanate
(was 7beta-hydroxy-3,12-dioxo-5beta-cholan-24-oate)
OLD: A cholanic acid anion that is the conjugate base of 7beta-hydroxy-3,12-dioxo-5beta-cholan-24-oic acid; major species at pH 7.3.
NEW: A cholanic acid anion that is the conjugate base of 7beta-hydroxy-3,12-dioxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137886 : 3alpha,7beta-dihydroxy-12-oxo-5beta-cholanate
(was 3alpha,7beta-dihydroxy-12-oxo-5beta-cholan-24-oate)
OLD: A cholanic acid anion that is the conjugate base of 3alpha,7beta-dihydroxy-12-oxo-5beta-cholan-24-oic acid; major species at pH 7.3.
NEW: A cholanic acid anion that is the conjugate base of 3alpha,7beta-dihydroxy-12-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:137931 : TDP-alpha-D-glucose(2-)
OLD: A TDP-D-glucose(2-) having alpha-configuration at the anomeric centre. Major microspecies at pH 7.3.
NEW: A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of TDP-alpha-D-glucose. Major microspecies at pH 7.3.
CHEBI:137949 : O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-serine residue
OLD: A L-serine residue having a O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl moiety attached to the side-chain oxygen.
NEW: An L-alpha-amino acid residue derived from O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-serine.
CHEBI:137950 : O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-threonine residue
OLD: A L-threonine residue having a O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl moiety attached to the side-chain oxygen.
NEW: An L-alpha-amino acid residue derived from O(3)-(beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl)-L-threonine.
CHEBI:137981 : 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium
OLD: Major microspecies at pH 7.3.
NEW: An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the endocyclic nitrogen at position 3 in the imidazole ring of 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
CHEBI:137982 : tertiary ammonium ion
(was tertiary amine(1+))
OLD: A compound formally derived from ammonium by replacing three hydrogen atoms by hydrocarbyl groups.
NEW: An organic cation obtained by protonation of any tertiary amine.
CHEBI:137983 : methylated tertiary amine
(was methyl tertiary amine(1+))
OLD: A compound formally derived from methylammonium by replacing the three hydrogen atoms of ammonium by hydrocarbyl groups.
NEW: A quaternary ammonium ion obtained by methylation of any tertiary amine
CHEBI:137984 : methylated secondary ammonium ion
(was methyl secondary amine(1+))
OLD: An organic cation obtained by protonation of a methyl secondary amine; major species at pH 7.3.
NEW: An organic cation obtained by protonation of any methylated secondary amine; major species at pH 7.3.
CHEBI:137986 : (beta-Asp-Arg)n zwitterion
(was [L-4-(L-arginin-2-N-yl)aspartate]n)
OLD: Cyanophycin is an amino acid polymer composed of an L-aspartate backbone and L-arginine side groups. The arginine moieties are linked to the beta-carboxyl group of each aspartate by its beta-amino group. Major microspecies at pH 7.3.
NEW: A zwitterion derived from (beta-Asp-Arg)n. Major microspecies at pH 7.3.
CHEBI:137997 : O-[S-4-(aminobutanoyl)pantetheine-4'-phosphoryl]serine zwitterionic residue
(was O-[S-4-aminobutanoylpantetheine-4'-phosphoryl]serine(1-) residue)
OLD: An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as 4-aminobutanoyl.
NEW: A zwitterionic group obtained by transfer of a proton from the phosphate to the amino group of O-[S-4-(aminobutanoyl)pantetheine-4'-phosphoryl]serine residue; major species at pH 7.3.
OLD: Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning
NEW: A member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning.
OLD: A non-proteinogenic alpha-amino acid that is alanine in which a keto group is incorporated at C-3.
NEW: A non-proteinogenic alpha-amino acid that is serine in which the alcoholic hydroxy group has been formally oxidised to the corresponding formyl group.
OLD: The family of natural prostaglandins and prostaglandin-like compounds.
NEW: The family of natural prostaglandins and prostaglandin-like compounds including prostacyclins and thromboxanes.
OLD: Any member of a group of steroid carboxylic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine.
NEW: Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration.
CHEBI:34505 : 8-epi-prostaglandin F2alpha
OLD: A prostanoid that is prostaglandin F2alpha having inverted stereochemistry at the 8-position.
NEW: An isoprostane that is prostaglandin F2alpha having inverted stereochemistry at the 8-position.
OLD: An ion of nickel carrying a triple positive charge.
NEW: A nickel cation in which the nickel carries a triple positive charge.
OLD: An ion of nickel carrying a double positive charge.
NEW: A nickel cation in which the nickel carries a double positive charge.
CHEBI:55474 : N-acyl-L-homoserine lactone
OLD: A carboxamide consisting of L-homoserine lactone having an unspecified N-acyl substituent.
NEW: An N-acyl homoserine lactone that has L configuration.
CHEBI:58810 : deoxycholoyl-CoA(4-)
OLD: An acyl-CoA(4-) that is the tetraanion of deoxycholoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
NEW: A steroidal acyl-CoA(4-) that is the tetraanion of deoxycholoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.
OLD: An arylmercury compound sonsisting of benzylpenicillenic acid conjugated via its mercapto group to 4-carboxyphenylmercury.
NEW: An arylmercury compound consisting of benzylpenicillenic acid conjugated via its mercapto group to 4-carboxyphenylmercury.
CHEBI:60315 : L-homocysteine thiolactone
OLD: A thiolactone arising from formal condensation of the mercapto and carboxylic acid groups of L-homocysteine.
NEW: A thiolactone arising from formal condensation of the mercapto (sulfanyl) and carboxylic acid groups of L-homocysteine.
CHEBI:63682 : (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate(3-)
(was (13E)-labda-7,13-dien-15-yl diphosphate(3-))
OLD: An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (13E)-labda-7,13-dien-15-yl diphosphate.
NEW: An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate.
CHEBI:63750 : (5S,9S,10S,13E)-labda-7,13-dien-15-yl diphosphate
(was (13E)-labda-7,13-dien-15-yl diphosphate)
OLD: A diterpenyl phosphate that is the O-diphospho derivative of (13E)-labda-7,13-dien-15-ol.
NEW: A diterpenyl phosphate that is the O-diphospho derivative of (5S,9S,10S,13E)-labda-7,13-dien-15-ol.
OLD: A terpenoid fundamental parent that is a tricyclic diterpene.
NEW: A carbotricyclic compound that is tetradecahydrophenanthrenewhich is substituted by an ethyl group at position 7 and by methyl groups at positions 1, 1, 4a, and 7 (the 4aR,4bS,7S,8aS,10aS isomer).
CHEBI:83169 : N-acyl homoserine lactone
OLD: A monocarboxylic acid amide that is the N-acyl derivative of homoserine lactone. They are a class of autoinducers generally involved in bacterial quorum sensing.
NEW: A monocarboxylic acid amide resulting from the formal condensation of a carboxylic acid with the amino group of homoserine lactone. A class of autoinducers generally involved in bacterial quorum sensing.
CHEBI:85103 : phenyl isothiocyanate
OLD: An isothiocyanate having a phenyl group attached to the nitrogen.
NEW: An isothiocyanate having a phenyl group attached to the nitrogen; used for amino acid sequencing in the Edman degradation.
CHEBI:85621 : L-3-oxoalanine residue
(was 3-oxoalanine residue)
OLD: Oxidised serine residue
NEW: An L-alpha-amino acid residue derived from L-3-oxoalanine.
Signed,
The chebi File Watching Daemon
Ontology report info
jen...@ladle.lbl.gov
The definitions of the following chebi terms changed as of 1 Nov 2017:
CHEBI:133981 : heptacosan-1-ol
OLD: A long-chain primary fatty alcohol that is heptacosane in which one of the terminal methyl hydrogens has been replaced by a hydroxy group.
NEW: A very long-chain primary fatty alcohol that is heptacosane in which one of the terminal methyl hydrogens has been replaced by a hydroxy group.
CHEBI:137366 : CHEBI:4042
(was CHEBI:25540)
OLD: neonicotinoid insecticide
NEW: has_role insecticide
CHEBI:138029 : 14alpha-methyl steroid
OLD: The alpha-stereoisomer of 14-methyl steroid.
NEW: Any steroid carrying a 14alpha-methyl substituent.
CHEBI:138034 : dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose(2-)
OLD: A dTDP-4-formamido-4,6-dideoxy-D-glucose(2-) in which the anomeric centre of the pyranose fragment has alpha-configuration. Major microspecies at pH 7.3.
NEW: A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose. Major microspecies at pH 7.3.
CHEBI:138041 : (+)-4-epi-cubebol
(was 4-epi-cubebol)
OLD: I don't understand the name. I have drawn the structure according to Fig.1 but it is not a 4 epimer compared to cubebol (chebi:63446). I have included the name given by Gerry MOss as a synonym.
NEW: A sesquiterpenoid consisting of octahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol carrying two additional methyl substituents at positions 3 and 7 as well as an isopropyl substituent at position 4 (the 3S,3aS,3bS,4R,7S,7aS diastereomer).
CHEBI:138050 : pseudolaratriene
OLD: The synonym is the name given by Gerrry Moss. If I miss some stereoconfiguration please add it.
NEW: A bicyclic diterpene that is 1,2,3,3a,4,5,8,8a-octahydroazulene carrying two methyl substituents at positions 6 and 8a as well as a 6-methylhepta-2,5-dien-2-yl at position 3. The relative stereochemistry has been assigned tentatively.
CHEBI:138053 : 5-methoxycarbonylmethoxyuridine(1-) residue
OLD: An organic anionic group obtained by deprotonation of the phosphate OH group of 5-(methoxycarbonylmethoxy)uridine 5'-phosphate residue. Major microspecies at pH 7.4.
NEW: A ribonucleotide residue(1-) obtained by deprotonation of the phosphate OH group of 5-(methoxycarbonylmethoxy)uridine 5'-phosphate residue. Major microspecies at pH 7.4.
CHEBI:138054 : 7-deaza-7-carbamidoylguanosine 5'-monophosphate zwitterion residue
OLD: Major species at pH 7.3.
NEW: A zwitterionic group obtained by transfer of a proton from the phosphate to the amidino group of 7-deaza-7-carbamidoylguanosine 5'-monophosphate. Major species at pH 7.3.
CHEBI:138055 : 2,4,5-trihydroxyphenylacetic acid
OLD: A trihydroxyphenylacetic acid having the three hydroxy substituents at the 2-, 4- and 5-positions.
NEW: A benzenetriol that is phenylacetic acid carrying three hydroxy substituents at positions 2, 4 and 5.
CHEBI:138056 : 2,4,5-trihydroxyphenylacetate
OLD: Conjugate base of 2,4,5-trihydroxyphenylacetic acid; major microspecies at pH 7.3.
NEW: A monocarboxylic acid anion that is the conjugate base of 2,4,5-trihydroxyphenylacetic acid, obtained by deprotonation of the carboxy group; major microspecies at pH 7.3.
CHEBI:138057 : N-terminal L-alanyl-L-prolyl-L-lysyl(2+) residue
(was N-terminal L-alanyl-L-prolyl-L-lysyl residue)
OLD: An alpha-amino-acid cation residue derived from N-terminal L-alanyl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
NEW: A cationic peptidyl group obtained by protonation of the two amino groups of N-terminal L-alanyl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
CHEBI:138058 : N-terminal N-methyl-L-alanyl-L-prolyl-L-lysyl(2+) residue
(was N-terminal N-methyl-L-alanyl-L-prolyl-L-lysyl residue)
OLD: Major microspecies at pH 7.3.
NEW: A cationic peptidyl group obtained by protonation of the two amino groups of N-terminal N-methyl-L-alanyl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
CHEBI:138059 : N-terminal L-prolyl-L-prolyl-L-lysyl(2+) residue
(was N-terminal L-prolyl-L-prolyl-L-lysyl residue)
OLD: An alpha-amino-acid cation residue derived from N-terminal L-prolyl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
NEW: A cationic peptidyl group obtained by protonation of the two amino groups of N-terminal L-prolyl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
CHEBI:138060 : N-terminal N-methyl-L-prolyl-L-prolyl-L-lysyl(2+) residue
(was N-terminal N-methyl-L-prolyl-L-prolyl-L-lysyl residue)
OLD: Major microspecies at pH 7.3.
NEW: A cationic peptidyl group obtained by protonation of the two amino groups of N-terminal N-methyl-L-prolyl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
CHEBI:138061 : N-terminal L-seryl-L-prolyl-L-lysyl(2+) residue
(was N-terminal L-seryl-L-prolyl-L-lysyl residue)
OLD: An alpha-amino-acid cation residue derived from N-terminal L-seryl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
NEW: A cationic peptidyl group obtained by protonation of the two amino groups of N-terminal L-seryl-L-prolyl-L-lysinyl residue; major species at pH 7.3.
CHEBI:138062 : N-terminal N-methyl-L-seryl-L-prolyl-L-lysyl(2+) residue
(was N-terminal N-methyl-L-seryl-L-prolyl-L-lysyl (+2) residue)
OLD: Major microspecies at pH 7.3
NEW: A cationic peptidyl group obtained by protonation of the two amino groups of N-methyl-L-seryl-L-prolyl-L-lysyl residue. Major microspecies at pH 7.3
CHEBI:138068 : ribonucleoside 5'-diphosphate-alpha-D-glucose(2-)
(was a ribonucleoside 5'-diphosphate -alpha-D-glucose(2-))
OLD: Major microspecies at pH 7.3
NEW: A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of any ribonucleoside 5'-diphosphate-alpha-D-glucose. Major microspecies at pH 7.3
CHEBI:138088 : long chain primary alcohol
OLD: length: 13-22 carbons
NEW: A primary alcohol with a chain length ranging from 13-22 carbons which is usually but not always a fatty alcohol.
CHEBI:138098 : 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion
(was 2-(prostaglandin G2)-LPE zwitterion)
OLD: A prostanoid-LPE zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-(prostaglandin G2)-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-[(9S,11R)-epidioxy-15(S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
CHEBI:138099 : 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion
(was 2-(prostaglandin H2)-LPE zwitterion)
OLD: A prostanoid-LPE zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-(prostaglandin H2)-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-[(9S,11R)-epidioxy-(15S)-hydroxy-(5Z,13E)-prostadienoyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.
CHEBI:138100 : 2-[(9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl]-sn-glycero-3- phosphocholine
(was 2-(prostaglandin G2)-sn-glycero-3-phosphocholine)
OLD: A prostanoid-LPC that is the ammonium betaine of a 2-(prostaglandin G2)-sn-glycero-3-phosphocholine arising from deprotonation of the phosphate OH group; major species at pH 7.3.
NEW: A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as (9S,11R)-epidioxy-(15S)-hydroperoxy-(5Z,13E)-prostadienoyl.
CHEBI:138102 : 4-(ADP-D-ribosyl)-L-aspartyl(2-) residue
(was 4-(ADP-D-ribosyl)-L-aspartyl residue)
OLD: Major microspecies at pH 7.3
NEW: An organic anionic group obtained by deprotonation of the diphosphate OH groups of 4-(ADP-D-ribosyl)-L-aspartyl residue. Major microspecies at pH 7.3
CHEBI:138113 : O-adenyl-L-threonine(1-) residue
OLD: An alpha-amino-acid residue anion obtained by removal of a proton form the phosphate group of O-adenyl-L-threonine residue; major species at pH 7.3.
NEW: An anionic amino-acid residue obtained by removal of a proton form the phosphate group of O-adenyl-L-threonine residue; major species at pH 7.3.
CHEBI:138114 : O-guanylyl-L-tyrosine(1-) residue
OLD: An alpha-amino-acid residue anion obtained by removal of a proton form the phosphate group of O-guanylyl-L-tyrosine residue; major species at pH 7.3.
NEW: An anionic amino-acid residue obtained by removal of a proton form the phosphate group of O-guanylyl-L-tyrosine residue; major species at pH 7.3.
CHEBI:138131 : Delta(5),Delta(7)-sterol
OLD: Any sterol containing double bonds between positions 5-6 and 7-8.
NEW: Any sterol containing two double bonds between positions 5-6 and 7-8.
CHEBI:138139 : 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid anion
(was 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid(1-))
OLD: An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid; major species at pH 7.3.
NEW: An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid; major species at pH 7.3.
CHEBI:138140 : 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion
(was 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid(1-))
OLD: Anion arising from deprotonation of the phosphate group of 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid.
NEW: An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid; major species at pH 7.3.
CHEBI:138145 : 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine zwitterion
(was 1,2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine zwitterion)
OLD: A phosphatidylethanolamine 32:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-dipalmitoleoyl-sn-glycero-3-phosphoethanolamine.
NEW: A phosphatidylethanolamine 32:2 obtained by transfer of a proton from the amino to the phosphate group of 1,2-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphoethanolamine.
CHEBI:138150 : D-tagatopyranose 1-phosphate(2-)
(was D-tagatopyranose 6-phosphate(2-))
OLD: The pyranose form of D-tagatose 6-phosphate; major microspecies at pH 7.3.
NEW: An organophosphate oxoanion obtained by deprotonation of the phospohate OH groups of D-tagatopyranose 1-phosphate; major microspecies at pH 7.3.
CHEBI:138171 : pApA(3-)
(was 5'-O-phosphonoadenylyl-(3'->5')-adenosine(3-))
OLD: Major microspecies at pH 7.3.
NEW: An organophosphate oxoanion obtained by deprotonation of the phospohate OH groups of pApA. Major microspecies at pH 7.3.
CHEBI:138175 : O-[S-(L-alpha-aminoacyl)pantetheine-4'-phosphoryl]serine zwitterionic residue
(was O-[S-L-alpha-aminoacyl-pantetheine-4'-phosphoryl]serine(1-) residue)
OLD: An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as an An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as an L-alpha-aminoacyl; major microspecies at pH 7.3.
NEW: A zwitterionic group obtained by transfer of a proton from the phosphate to the amino group of any O-[S-(L-alpha-aminoacyl)pantetheine-4'-phosphoryl]serine residue; major microspecies at pH 7.3.
CHEBI:138178 : (4S)-2,3-dehydroflavan-3,4-diol(1-)
OLD: Major microspecies at pH 7.3.
NEW: An organic anion obtained by deprotonation of the 3-hydroxy group of any (4S)-2,3-dehydroflavan-3,4-diol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
CHEBI:138232 : peregrinol diphosphate(3-)
OLD: In fig.1 of pmid.24990389 C-17 of this molecule is flat but C-17 of peregrinol and marrubenol is not. If you think C-17 should have its stereoconfiguration defined it is OK with me.
NEW: An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of peregrinol diphosphate; major species at pH 7.3.
CHEBI:138267 : hexanoyl-sn-glycero-3-phosphoethanolamine zwitterion
OLD: A lysophosphatidylethanolamine with an hexanoyl fatty acyl chain located at either sn-1 or at sn-2 of the glycerol backbone. Formula: C11H24NO7P
NEW: A lysophosphatidylethanolamine zwitterion with an hexanoyl fatty acyl chain located at either sn-1 or at sn-2 of the glycerol backbone.
CHEBI:138511 : piericidin A
(was Piericidin A)
OLD: Irreversible mitochondrial Complex I inhibitor that that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase
NEW: A member of the class of monohydroxypyridines that acts as an irreversible mitochondrial Complex I inhibitor that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase
CHEBI:17135 : long-chain fatty alcohol
OLD: A fatty alcohol with a chain length of C13 or greater.
NEW: A fatty alcohol with a chain length ranging from C13-C23.
OLD: A compound derived from an alkane by replacing at least one hydrogen atom with a halogen atom.
NEW: An organohalogen compound that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom.
OLD: A long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
NEW: A very long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
OLD: A long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
NEW: A very long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
OLD: A perfluorinated compound that is perfluorooctane in which a fluorine attached to one of the terminal carbons has been replaced by a bromine.
NEW: A haloalkane that is perfluorooctane in which a fluorine attached to one of the terminal carbons has been replaced by a bromine.
OLD: The six-membered ring form of D-mannose.
NEW: D-Mannose in its six-membered ring form.
CHEBI:48039 : dihydroflavonols
OLD: Any hydroxyflavanone in which a hydroxy group is present on the position 3 of the heterocyclic ring.
NEW: Any hydroxyflavanone in which a hydroxy group is present at position 3 of the heterocyclic ring.
CHEBI:506227 : N-acetyl-D-glucosamine
OLD: The pyranose form of N-acetyl-D-glucosamine.
NEW: The D isomer of N-acetylglucosamine.
OLD: A natural product found in Sporochnus comosus.
NEW: An epoxycarotenol that is found in brown seaweed and which exhibits anti-cancer, anti-diabetic, anti-oxidative and neuroprotective properties.
OLD: A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of UMP.
NEW: A pyrimidine nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of UMP.
CHEBI:58557 : N-acetyl-D-mannosamine 6-phosphate(2-)
OLD: Dianion of N-acetyl-D-mannosamine 6-phosphate.
NEW: An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of N-acetyl-D-mannosamine 6-phosphate.
CHEBI:60177 : alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
OLD: A linear pentasaccharide consisting of three galactosyl residues, one N-acetylglucosaminyl residue and one glucosyl residue (at the reducing end), linked as shown.
NEW: A linear amino pentasaccharide consisting of three galactosyl residues, one N-acetylglucosaminyl residue and one glucosyl residue (at the reducing end), linked as shown.
CHEBI:60214 : beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)-D-Gal
OLD: An amino trisaccharide consisting of an N-acetyl-D-glucosamine flanked by two D-galactose residues in a linear sequence.
NEW: An amino trisaccharide consisting of an N-acetyl-D-glucosamine flanked by two D-galactose residues in a linear sequence with (1->4) and (1->4) linkages.
CHEBI:60220 : beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->3)-D-Glc
OLD: A tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-(1->3)-linkages.
NEW: An amino tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-(1->3)-linkages.
CHEBI:60239 : beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc
OLD: A tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-linkages.
NEW: An amino tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-linkages.
CHEBI:60241 : beta-D-Gal-(1->3)-alpha-D-GalNAc-OBn
OLD: An amino disaccharide consisting of benzyl 2-acetamido-2-deoxy-D-galactoside having a beta-D-galactosyl residue attached at the 3-position.
NEW: A beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide disaccharide consisting of benzyl 2-acetamido-2-deoxy-D-galactoside having a beta-D-galactosyl residue attached at the 3-position.
OLD: A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of CMP; major species at pH 7.3.
NEW: A pyrimidine nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of CMP; major species at pH 7.3.
OLD: A pyranoside is a pyranose in which the anomeric OH at C1 has been converted into an OR group.
NEW: A glycoside resulting from the attachment of any pyranosyl group to a non-acyl group RO- (also RS-, RSe-, etc.).
OLD: A long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine (Jasminum sambac).
NEW: A very long-chain primary fatty alcohol that is tetracosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from a variety of plants, including grape seeds, evening primrose (Oenothera biennis), pitaya fruits (Hylocereus polyrhizus and Hylocereus undatus), and the flowers of Arabian jasmine (Jasminum sambac).
CHEBI:77414 : dotriacontan-1-ol
OLD: A long-chain primary fatty alcohol that is dotriacontane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
NEW: A very long-chain primary fatty alcohol that is dotriacontane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
CHEBI:77415 : tetratriacontan-1-ol
OLD: A long-chain fatty alcohol that is tetratriacontane in which one of the terminal methyl hydrogens is replaced by a hydroxy group
NEW: A very long-chain fatty alcohol that is tetratriacontane in which one of the terminal methyl hydrogens is replaced by a hydroxy group
OLD: A long-chain fatty alcohol consisting of a C27 chain with a hydroxy group at C-1 and with methyl branches at C-4, -8, -12, -16 and -20, all with S stereochemistry.
NEW: A very long-chain fatty alcohol consisting of a C27 chain with a hydroxy group at C-1 and with methyl branches at C-4, -8, -12, -16 and -20, all with S stereochemistry.
OLD: A long-chain primary fatty alcohol that is pentacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been identified in the roots of Rhodiola imbricata.
NEW: A very long-chain primary fatty alcohol that is pentacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been identified in the roots of Rhodiola imbricata.
CHEBI:84029 : (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate
(was 14,15-DHET(1-))
OLD: A polyunsaturated fatty acid anion that is the conjugate base of 14,15-DHET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
NEW: A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:84031 : (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate
(was 11,12-DHET(1-))
OLD: A polyunsaturated fatty acid anion that is the conjugate base of 11,12-DHET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
NEW: A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:84032 : (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate
(was 8,9-DHET(1-))
OLD: A polyunsaturated fatty acid anion that is the conjugate base of 8,9-DHET, obtained by deprotonation of the carboxy group; major species at pH 7.3.
NEW: A polyunsaturated fatty acid anion that is the conjugate base of (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
CHEBI:84844 : 1,2-di-[(9E)-octadecenoyl]-sn-glycero-3-phosphoethanolamine
OLD: A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl substituent both at positions 1 and 2 is specified as (9E)-octadecenoyl respectively.
NEW: A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which both acyl substituents are specified as (9E)-octadecenoyl.
CHEBI:84916 : 22-methyltricosan-1-ol
OLD: A long-chain primary fatty alcohol that is tricosan-1-ol substituted by a methyl group at position 22.
NEW: A very long-chain primary fatty alcohol that is tricosan-1-ol substituted by a methyl group at position 22.
CHEBI:84917 : 24-methylpentacosan-1-ol
OLD: A long-chain primary fatty alcohol that is pentacosan-1-ol substituted by a methyl group at position 24.
NEW: A very long-chain primary fatty alcohol that is pentacosan-1-ol substituted by a methyl group at position 24.
CHEBI:84918 : 26-methylheptacosan-1-ol
OLD: A long-chain primary fatty alcohol that is heptacosan-1-ol substituted by a methyl group at position 26.
NEW: A very long-chain primary fatty alcohol that is heptacosan-1-ol substituted by a methyl group at position 26.
CHEBI:84919 : 28-methylnonacosan-1-ol
OLD: A long-chain primary fatty alcohol that is nonacosan-1-ol substituted by a methyl group at position 28.
NEW: A very long-chain primary fatty alcohol that is nonacosan-1-ol substituted by a methyl group at position 28.
CHEBI:84926 : 22-methyltetracosan-1-ol
OLD: A long-chain primary fatty alcohol that is tetracosan-1-ol substituted by a methyl group at position 22.
NEW: A very long-chain primary fatty alcohol that is tetracosan-1-ol substituted by a methyl group at position 22.
CHEBI:84927 : 24-methylhexacosan-1-ol
OLD: A long-chain primary fatty alcohol that is hexacosan-1-ol substituted by a methyl group at psotion 24.
NEW: A very long-chain primary fatty alcohol that is hexacosan-1-ol substituted by a methyl group at psotion 24.
CHEBI:84928 : 26-methyloctacosan-1-ol
OLD: A long-chain primary fatty alcohol that is octacosan-1-ol substituted by a methyl group at position 26.
NEW: A very long-chain primary fatty alcohol that is octacosan-1-ol substituted by a methyl group at position 26.
CHEBI:84929 : 28-methyltriacontan-1-ol
OLD: A long-chain primary fatty alcohol that is triacontan-1-ol substituted by a methyl group at position 28.
NEW: A very long-chain primary fatty alcohol that is triacontan-1-ol substituted by a methyl group at position 28.
CHEBI:84930 : 30-methyldotriacontan-1-ol
OLD: A long-chain primary fatty alcohol that is dotriacontan-1-ol substituted by a methyl group at position 30.
NEW: A very long-chain primary fatty alcohol that is dotriacontan-1-ol substituted by a methyl group at position 30.
CHEBI:84931 : 32-methyltetratriacontan-1-ol
OLD: A long-chain primary fatty alcohol that is tetratriacontan-1-ol substituted by a methyl group at position 32.
NEW: A very long-chain primary fatty alcohol that is tetratriacontan-1-ol substituted by a methyl group at position 32.
CHEBI:87075 : O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine residue
(was N-acetyl-alpha-D-galactosaminyl-L-threonine residue)
OLD: An L-alpha-amino acid residue derived from N-acetyl-alpha-D-galactosaminyl-L-threonine.
NEW: The residue formed from O-(N-acetyl-alpha-D-galactosaminyl)-L-threonine