anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O O[C@H]1[C@H](O)[C@@](O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O is A D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position. It has the role of mouse metabolite . Its functional parent is beta-D-fructofuranose . It is a conjugate acid of beta-D-fructofuranose 1,6-bisphosphate(4-) . It is also related to or classified as D-fructofuranose 1,6-bisphosphate  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)O)O)C(=O)O)O)O)O)O is a linear amino trisaccharide consisting of alpha-KDN, beta-D-galactose and N-acetyl-D-glucosamine residues linked sequentially (2->6) and (1->4). It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@@H]1O O[C@H]1[C@H](O)[C@@H](COC(=O)CC([O-])=O)O[C@@H](Oc2cc3c([O-])cc([O-])cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@@H]1O is an organic anion obtained by deprotonation of the malonyl carboxy as well as the 5- and 7-hydroxy groups of delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as organic anion .
The molecule Cc1cc(Cl)nc(N)n1 Cc1cc(Cl)nc(N)n1 is an aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively. It has the role of nitrification inhibitor . It is also related to or classified as aminopyrimidine .
The molecule CC1=CN=C2C=C(C=CC2=N1)C(=O)O is a quinoxaline derivative in which the quinoxaline (1,4-naphthyridine) skeleton is substituted with a carboxy function at C-6 and a methyl group at C-2. It is a monocarboxylic acid, a quinoxaline derivative and an aromatic carboxylic acid.
The molecule C([C@H](CO)O)C(=O)C(=O)O is a ketoaldonic acid, a 2-oxo monocarboxylic acid and a pentonic acid. It derives from a L-arabinonic acid. It is a conjugate acid of a 2-dehydro-3-deoxy-L-arabinonate. It is an enantiomer of a 2-dehydro-3-deoxy-D-arabinonic acid.
The molecule O=C1C=COC2=C1C=C1C=COC1=C2 O=C1C=COC2=C1C=C1C=COC1=C2 is A member of the class of furanochromones that is 5H-furo[3,2-g][1]benzopyran carrying an oxo group a position 5. It is also related to or classified as furanochromone .
The molecule OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O OC[C@@]1(O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O is A D-fructofuranose 6-phosphate with a beta-configuration at the anomeric position. It has the role of mouse metabolite . Its functional parent is beta-D-fructofuranose . It is a conjugate acid of beta-D-fructofuranose 6-phosphate(2-) . It is also related to or classified as D-fructofuranose 6-phosphate  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)CO)O)O)O)O)O is an amino trisaccharide consisting of alpha-L-fucose, beta-D-galactose and N-acetyl-D-glucosamine residues joined by sequential (1->2)- and (1->3)-linkages. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F is 1-[[(3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C(OC)C1=C(NC(=O)C)C(O)=C(C)C=C1 O=C(OC)C1=C(NC(=O)C)C(O)=C(C)C=C1 is 2-acetylamino-3-hydroxyl-4-methyl-benzoic acid methyl ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sialotetraosylceramide having beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc as the sialotetraosyl component. It has a role as a mouse metabolite. It derives from a hexadecanoic acid.
The molecule OCC(=O)CC(=O)C(O)=O OCC(=O)CC(=O)C(O)=O is an oxo monocarboxylic acid that is acetylpyruvic acid in which one of the hydrogens of the methyl group is replaced by a hydroxy group. Its functional parent is acetylpyruvic acid . It is a conjugate acid of 5-hydroxy-2,4-dioxopentanoate . It is also related to or classified as hydroxy monocarboxylic acid , oxo monocarboxylic acid , beta-diketone .
The molecule C1CN=C(N1)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3 C1CN=C(N1)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3 is N-[5-(phenylmethyl)-2-thiazolyl]-4,5-dihydro-1H-imidazole-2-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)CC(O)(CC(=O)NCCC[C@@H](NC(=O)CC(O)(CC(O)=O)C(O)=O)C(O)=O)C(O)=O OC(=O)CC(O)(CC(=O)NCCC[C@@H](NC(=O)CC(O)(CC(O)=O)C(O)=O)C(O)=O)C(O)=O is A D-ornithine derivative obtained by formal condensation of the terminal carboxy groups of two citric acid units with the two amino groups of D-ornithine. It has the role of siderophore . It has the role of bacterial metabolite . Its functional parent is citric acid . It is a conjugate acid of staphyloferrin A(5-) . It is also related to or classified as tertiary alcohol  . It is also related to or classified as pentacarboxylic acid , tricarboxylic acid amide , D-ornithine derivative .
The molecule [H][C@@]1(Cc2c[nH]c3cccc(CC=C(C)C)c23)NC(=O)\C(C1=O)=C(\C)O [H][C@@]1(Cc2c[nH]c3cccc(CC=C(C)C)c23)NC(=O)\C(C1=O)=C(\C)O is (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione. It is a conjugate acid of (3Z,5S)-3-(1-oxidoethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione(1-) . It is also related to or classified as beta-cyclopiazonic acid .
The molecule C=CCCCCCCCCC(=O)O is an undecenoic acid having its double bond in the 10-position. It is derived from castor oil and is used for the treatment of skin problems. It has a role as a plant metabolite and an antifungal drug. It is a conjugate acid of a 10-undecenoate.
The molecule COc1cc(O)cc(C([O-])=O)c1C(=O)c1c(O)cc(C)cc1[O-] COc1cc(O)cc(C([O-])=O)c1C(=O)c1c(O)cc(C)cc1[O-] is A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and one of the ortho-phenolic groups of demethylsulochrin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as hydroxy monocarboxylic acid anion , phenolate anion .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCC(O)=O is biologically active derivative of anandamide. Its functional parent is arachidonic acid . It is a conjugate acid of N-arachidonoylglycinate . It is also related to or classified as N-acylglycine  . It is also related to or classified as fatty amide .
The molecule O(C1=CC(NC(CCC(O)=O)C)=C2N=CC=CC2=C1)C O(C1=CC(NC(CCC(O)=O)C)=C2N=CC=CC2=C1)C is Carboxyprimaquine. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCCCCCCCC(=O)C(C)C(=O)NCCO)O)O is a hydroxy fatty amide ascaroside obtained by obtained by formal condensation of the 24-hydroxy group of (24R)-24-hydroxy-N-(2-hydroxyethyl)-2-methyl-3-oxopentacosanamide with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a hydroxy fatty amide ascaroside, a N-acylethanolamine and a monocarboxylic acid amide.
The molecule O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)CO O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)CO is Floribundoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1C(N2C=3C(C(=C2)CC(O)=O)=CC=CC3)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO O1C(N2C=3C(C(=C2)CC(O)=O)=CC=CC3)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO is Indole-3-acetyl-N-beta-D-glucose. It is also related to or classified as N-glycosyl compound  . It is also related to or classified as indoles .
The molecule CC(C)=CCC\C(C)=C\CO CC(C)=CCC\C(C)=C\CO is A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. It has the role of volatile oil component . It has the role of fragrance . It has the role of allergen . It has the role of plant metabolite . It is also related to or classified as 3,7-dimethylocta-2,6-dien-1-ol  . It is also related to or classified as primary alcohol  . It is also related to or classified as monoterpenoid .
The molecule C[C@@H](C(=O)[O-])OS(=O)(=O)[O-] is an organosulfate oxoanion arising from deprotonation of the sulfo and carboxy groups of (S)-2-O-sulfolactic acid. It is a monocarboxylic acid anion and an organosulfate oxoanion. It is a conjugate base of a (S)-2-O-sulfolactic acid.
The molecule C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(O)=O C[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(O)=O is A dipeptide formed from L-histidine and L-alanine residues. It has the role of metabolite . It is also related to or classified as dipeptide  .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O[C@H](CCCCO1)C)[C@@H](C)CO)C is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC(=C1)O)CCC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 3-(3-hydroxyphenyl)propanoic acid. It has a role as a human xenobiotic metabolite. It is a conjugate base of a 3-(3-hydroxyphenyl)propanoic acid.
The molecule N[C@H](Cc1c[nH]cn1)C(O)=O N[C@H](Cc1c[nH]cn1)C(O)=O is an optically active form of histidine having D-configuration. It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of D-histidinate(1-) . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as histidine  .
The molecule COC1=CC(=CC(=C1OC)OC)C(=O)O is a benzoic acid derivative carrying 3-, 4- and 5-methoxy substituents. It has a role as a plant metabolite. It is a member of benzoic acids and a member of methoxybenzenes. It derives from a benzoic acid. It is a conjugate acid of a 3,4,5-trimethoxybenzoate.
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3CCCCC3 is N-[(3R,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=S(=O)(CC(C(O)=O)SC[C@@H](C(=O)[O-])[NH3+])[O-] O=S(=O)(CC(C(O)=O)SC[C@@H](C(=O)[O-])[NH3+])[O-] is major microspecies at pH 7.3. It is also related to or classified as L-cysteine derivative .
The molecule [NH3+][C@H](C(=O)N[C@H](C(=O)[O-])C)CC=1N=CNC1 [NH3+][C@H](C(=O)N[C@H](C(=O)[O-])C)CC=1N=CNC1 is A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Ala. Major species at pH 7.3. It has the role of metabolite . It is also related to or classified as dipeptide zwitterion  .
The molecule CCCCC[C@H]([C@@H](/C=C/C=C/C=C\\C=C\\[C@H](CCCC(=O)O)O)O)O is a C20 hydroxy fatty acid having (5S)-, (14R)- and (15R)-hydroxy groups as well as (6E)- (8Z)-, (10E)- and (12E)-double bonds. It is a lipoxin, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid.
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C(O)C=C(OC)C2)C(=O)/C=C/C=3C(O)=CC=CC3)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C(O)C=C(OC)C2)C(=O)/C=C/C=3C(O)=CC=CC3)CO is Androechin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC=C(C(=C1)[N+]#N)S(=O)(=O)[O-] is the aromatic diazonium ion that is diazotised 2-aminobenzenesulfonic acid. It has a role as a hapten. It derives from a benzenesulfonate.
The molecule OC([O-])=O OC([O-])=O is the carbon oxoanion resulting from the removal of a proton from carbonic acid. It has the role of cofactor . It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of carbonate . It is also related to or classified as carbon oxoanion .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is N-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)C[C@H]([C@@H](C(=O)NO)O)C(=O)N[C@H](C(=O)NC)C(C)(C)C is a secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide. It has a role as an antineoplastic agent and a matrix metalloproteinase inhibitor. It is a secondary carboxamide and a hydroxamic acid.
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C is N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cn1c2c(cc3ccccc13)nc1ccccc21 Cn1c2c(cc3ccccc13)nc1ccccc21 is an organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of cysteine protease inhibitor . It has the role of anti-inflammatory agent . It has the role of plant metabolite . It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound , indole alkaloid .
The molecule CC(C)=CCC\C(C)=C\C=O CC(C)=CCC\C(C)=C\C=O is A monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7. It has the role of volatile oil component . It has the role of plant metabolite . It is also related to or classified as polyprenal  .  It is also related to or classified as enal  . It is also related to or classified as monoterpenoid .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)O is a very long-chain omega-6 fatty acid that is octacosanoic acid having four double bonds located at positions 13, 16, 19, 22 (the 13Z,16Z,19Z,22Z-isomer). It is an omega-6 fatty acid and an octacosatetraenoic acid. It is a conjugate acid of a (13Z,16Z,19Z,22Z)-octacosatetraenoate.
The molecule Nc1nc2NC3OC4COP([O-])(=O)O[C-]4C(=O)C3Nc2c(=O)[nH]1 Nc1nc2NC3OC4COP([O-])(=O)O[C-]4C(=O)C3Nc2c(=O)[nH]1 is the dianion resulting from deprotonation of the phosphate group as well as removal of the acidic proton from the carbon adjacent to the 2-oxo group of precursor Z. It is also related to or classified as dialkyl phosphate anion .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)C3CCCCC3 is N-[[(3R,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@@H](C)CO)C)CN(C)S(=O)(=O)C3=CC=C(C=C3)OC is N-[[(3R,9S,10R)-16-(dimethylamino)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCC/C=C\\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1Z)-hexadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It is a 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion and a 1-O-(1Z-hexadecenyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion. It is a tautomer of a 1-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine.
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@@H]4OC)OC)C)=CC3C)C=C2C(=O)C5(C1(O)C(=O)C=C(OC)C5O)O O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@@H](OC)[C@@H]([C@@H]4OC)OC)C)=CC3C)C=C2C(=O)C5(C1(O)C(=O)C=C(OC)C5O)O is 4,4a,11,12a-tetrahydroxy-3-methoxy-10-methyl-8-[(2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-4H-tetracene-1,5,12-trione. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule [H][C@]1(CCC2(C)OC2C1)C(C)=C [H][C@]1(CCC2(C)OC2C1)C(C)=C is the (R)-enantiomer of limonene 1,2-epoxide. It is also related to or classified as limonene 1,2-epoxide  .
The molecule CCCN(CCC)CCNC(=O)C1=CC2=C(O1)C3=CC=CC=C3N=C2C CCCN(CCC)CCNC(=O)C1=CC2=C(O1)C3=CC=CC=C3N=C2C is N-[2-(dipropylamino)ethyl]-4-methyl-2-furo[3,2-c]quinolinecarboxamide. It is also related to or classified as organic heterotricyclic compound , organonitrogen heterocyclic compound , oxacycle .
The molecule Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c2cccc(O)c2O)NC(=O)c2cccc(O)c2O)c1O Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c2cccc(O)c2O)NC(=O)c2cccc(O)c2O)c1O is A macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella. It has the role of siderophore . It has the role of bacterial metabolite . It is a conjugate acid of enterobactin(6-) . It is a conjugate acid of enterobactin(1-) .   It is also related to or classified as catechols  . It is also related to or classified as crown compound  . It is also related to or classified as macrotriolide , polyphenol .
The molecule [C@@H]1(O)[C@H](O)[C@H]([C@H](O[C@@H]2[C@H](C(O[C@@H]([C@H]2O)CO)O)NC(C)=O)O[C@@H]1CO)O [C@@H]1(O)[C@H](O)[C@H]([C@H](O[C@@H]2[C@H](C(O[C@@H]([C@H]2O)CO)O)NC(C)=O)O[C@@H]1CO)O is an amino disaccharide consisting of beta-D-galactose linked via a (1->3)-glycosidic bond to N-acetyl-D-glucosamine. It has the role of epitope . It is also related to or classified as amino disaccharide , glucosamine oligosaccharide .
The molecule [C-]#N.[C-]#N.C(=O)=[Fe] is an iron coordination entity consisting of two cyano and one carbonyl group coordinated to a central iron atom. It is a metal carbonyl and an iron coordination entity.
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)CCCCCCCCCC(O)=O OC(=O)CCCCCCCCCC(O)=O is an alpha,omega-dicarboxylic acid that is nonane with two  carboxylic acid groups at positions C-1 and C-9. It has the role of metabolite . It is a conjugate acid of undecanedioic acid anion . It is also related to or classified as alpha,omega-dicarboxylic acid .
The molecule C1=CC=C2C(=C1)NC3=CC=CC(=C3N2)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of 5,10-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 5,10-dihydrophenazine-1-carboxylic acid.
The molecule C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C)[C@H](/C(=C\\C[C@H]3[C@H](C3(C)C)/C=C(/C2=O)\\C)/C)O)OC(=O)C4=CC=CC=C4 is a lathyrane diterpenoid isolated from the roots of Euphorbia micractina. It has a role as a vasodilator agent. It is an acetate ester, a benzoate ester and a lathyrane diterpenoid.
The molecule OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O is beta-D-fructofuranose. It has the role of mouse metabolite . It is also related to or classified as D-fructofuranose  .
The molecule [C@H]1(O)[C@H](O)O[C@H](CS(O)(=O)=O)[C@H]([C@@H]1O)O [C@H]1(O)[C@H](O)O[C@H](CS(O)(=O)=O)[C@H]([C@@H]1O)O is A 6-sulfo-D-quinovose (6-deoxy-6-sulfo-D-glucopyranose) that has beta configuration at the anomeric centre. It is a conjugate acid of 6-sulfo-beta-D-quinovose(1-) . It is also related to or classified as 6-sulfo-D-quinovose  .
The molecule CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C(CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)O)C)C(=C3CCC(=O)O)C)CCC(=O)O.[Fe+2] is a heme. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and a cofactor.
The molecule C12(C3(C(=CCC1)C)CCC2C(C3)(C)C)C C12(C3(C(=CCC1)C)CCC2C(C3)(C)C)C is an alpha-neoclovene. It is also related to or classified as sesquiterpene  . It is also related to or classified as carbotricyclic compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@H](C)CO)C)CNC C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)N)[C@H](C)CO)C)CNC is (3R,9R,10R)-16-amino-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=S(=O)(C=CC([O-])=O)[O-] O=S(=O)(C=CC([O-])=O)[O-] is major microspecies at pH 7.3. It is also related to or classified as acrylic acid  .
The molecule [C@]1([C@@H](CCCC(C)C)C)([C@]2(CC[C@@]3([C@]4(CC[C@@H](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])O)C)[H])C)[H] [C@]1([C@@H](CCCC(C)C)C)([C@]2(CC[C@@]3([C@]4(CC[C@@H](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])O)C)[H])C)[H] is A member of the class of phytosterols that is 5beta-cholestane carrying a hydroxy substituent at the 3beta-position. It has the role of plant metabolite . It has the role of environmental contaminant . It has the role of human urinary metabolite . It is also related to or classified as phytosterols , cholestanoid , 3-hydroxy steroid .
The molecule S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@H]5[C@@H](O)CCC([C@H]5C2)=O)C S([C@@]12N(C(=O)[C@]3(SC)C[C@@H]4[C@H](N3C1=O)[C@@H](O)CCC4=O)[C@H]5[C@@H](O)CCC([C@H]5C2)=O)C is Penicibrocazine D. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .