mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O=C1C2=CC=CC3=C2C(=NN3)C2=C1C=CC=C2</smiles> is A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase. It has the role of geroprotector. It has the role of antineoplastic agent. It has the role of c-Jun N-terminal kinase inhibitor. It is also related to or classified as cyclic ketone, aromatic ketone, anthrapyrazole.
The molecule <smiles>N1=C(C2=CC=CC=C2)C=CC3=NN=C(COC4=C5C(C=C(C=C5)OC)=NC=C4)N13</smiles> is A member of the class of quinolines that is 7-methoxyquinoline substituted at position 4 by a (6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy group. AMG exhibits antitumour activity, particularly in prostate cancer. It has the role of antineoplastic agent. It has the role of c-Met tyrosine kinase inhibitor. It is also related to or classified as quinolines, aromatic ether, triazolopyridazine.
The molecule <smiles>C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)=O)(=O)[O-]</smiles> is A polyunsaturated oxo fatty acid anion that is the conjugate base of 11-oxo-ETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.  It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as oxo-ETE anion, oxo fatty acid anion, polyunsaturated fatty acid anion.
The molecule <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)O)[O-])(C)C)(C)C</smiles> is A member of the class of imidazolines and organic radical that is 4,4,5,5-tetramethyl-3-oxo-4,5-dihydro-1H-3lambda(5)-imidazol-1-yl]oxidanyl substituted at position 2 by a 4-carboxyphenyl group. It has the role of radical scavenger. It has the role of apoptosis inhibitor. It is a conjugate acid of carboxylato-PTIO. It is also related to or classified as benzoic acid . It is also related to or classified as organic radical, imidazolines.
The molecule <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C</smiles> is A benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group. It is also related to or classified as benzoates, radical anion.
The molecule <smiles>[O]N1C(C([N+](=C1C=2C=CC(=CC2)C(=O)[O-])[O-])(C)C)(C)C.[K+]</smiles> is A potassium salt having 2-(4-carboxylatophenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide as the counterion. It has the role of radical scavenger. It has the role of apoptosis inhibitor. It is also related to or classified as potassium salt, organic radical.
The molecule <smiles>S(C=1C=CC(C2=NC(C=3C=CN=CC3)=C(N2)C4=CC=C(C=C4)F)=CC1)(C)=O</smiles> is A member of the class of imidazoles carrying 4-methylsulfinylphenyl, 4-pyridyl and 4-fluorophenyl substituents at positions 2, 4 and 5 respectively. An inhibitor of mitogen-activated protein kinase. It has the role of geroprotector. It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It has the role of neuroprotective agent. It has the role of Hsp90 inhibitor. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is also related to or classified as sulfoxide .   It is also related to or classified as monofluorobenzenes . It is also related to or classified as imidazoles, pyridines.
The molecule <smiles>C(/C=C\C=C\[C@H](CCCCCO)O)=C\C=C\[C@H]([C@H](CCCC(=O)[O-])O)O</smiles> is A lipoxin anion that is the conjugate base of 20-hydroxylipoxin A4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is lipoxin A4(1-). It is also related to or classified as omega-hydroxy-long-chain fatty acid anion . It is also related to or classified as lipoxin anion.
The molecule <smiles>CN(C)C(C(=O)C=1C=2C=C(C(=CC2N(C1)C)Cl)C(=O)N3[C@H](C)CN([C@H](C3)C)CC4=CC=C(F)C=C4)=O</smiles> is an indolecarboxamide obtained by formal condensation of the carboxy group of 6-chloro-3-[(dimethylamino)(oxo)acetyl]-1-methylindole-5-carboxylic acid with the secondary amino group  of (2S,5R)-1-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine. It is a potent inhibitor of MAPK and exhibits anti-cancer properties. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor.        It is also related to or classified as monofluorobenzenes . It is also related to or classified as dicarboxylic acid diamide, N-acylpiperazine, N-alkylpiperazine, indolecarboxamide, chloroindole, aromatic amide, aromatic ketone.
The molecule <smiles>C(=O)([O-])CCCC(/C=C/C=C\C/C=C\C/C=C\CCCCCO)O</smiles> is an icosanoid anion that is the conjugate base of 5,20-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is also related to or classified as dihydroxyicosatetraenoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion . It is also related to or classified as icosanoid anion, polyunsaturated fatty acid anion.
The molecule <smiles>C1[C@@]2(N3CC[C@@]42[C@]5(N(C=6C4=CC=CC6)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])[H].Cl</smiles> is A hydrochloride obtained by combining strychnine with one molar equivalent of hydrogen chloride. It has the role of rodenticide. It has the role of avicide. It has the role of neurotransmitter agent. It has the role of cholinergic antagonist. It has the role of glycine receptor antagonist. It is also related to or classified as hydrochloride, organoammonium salt.
The molecule <smiles>C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\N)\C#N)/N.CCO</smiles> is an addition compound obtained by combining equimolar amounts of (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile (U0126) and ethanol. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties. It has the role of antioxidant. It has the role of antineoplastic agent. It has the role of vasoconstrictor agent. It has the role of osteogenesis regulator. It has the role of apoptosis inducer. It has the role of EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is also related to or classified as addition compound.
The molecule <smiles>C(\CC(/C=C/C=C\C/C=C\CCCCCO)O)=C\CCCC([O-])=O</smiles> is an icosanoid anion that is the conjugate base of 8,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 8-HETE(1-). It is also related to or classified as dihydroxyicosatetraenoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion . It is also related to or classified as icosanoid anion, polyunsaturated fatty acid anion.
The molecule <smiles>S1(=O)(=O)C2=C(C(CC1)(C)C)C=C(\C(=C\C3=CC=C(C(=O)O)C=C3)\C)C(=C2)OCCCCCCC</smiles> is A thiochromane that is 3,4-dihydro-2H-1-benzothiopyran S,S-dioxide in which the hydrogens at position 4 are both replaced by methyl groups, the hydrogens at position 7 is replaced by a heptyloxy group, while the hydrogen at position 6 is replaced by a 1-phenylprop-1-en-2-yl group, the phenyl group of which is substituted at the para position by a carboxy group. It is a selective antagonist for retinoic acid receptor alpha. It has the role of apoptosis inducer. It has the role of retinoic acid receptor alpha antagonist.   It is also related to or classified as sulfone . It is also related to or classified as benzoic acids, aromatic ether, thiochromane.
The molecule <smiles>C(=C\C(C/C=C\CCCCCO)O)/C=C\C/C=C\CCCC(=O)[O-]</smiles> is an icosanoid anion that is the conjugate base of 12,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 12-HETE(1-). It is also related to or classified as dihydroxyicosatetraenoate . It is also related to or classified as omega-hydroxy-long-chain fatty acid anion . It is also related to or classified as icosanoid anion, polyunsaturated fatty acid anion.
The molecule <smiles>C(=O)([C@@H](N)CCC(=O)O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCC(=O)O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamyl-L-glutamic acid with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C(=O)([C@@H](N)CCC(=O)O)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamylglycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>N=1N(C2=C(C1\C=C\C(O)=O)C=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3Cl)Cl</smiles> is A member of the class of indazoles that is 3-(indazol-3-yl}prop-2-enoic acid carrying additional 2,4-dichlorobenzyl and trifluoromethyl substituents at positions 1 and 6 respectively. An orally active antispermatogenic compound with antifertility effects that is a potential male contraceptive drug. It has the role of antispermatogenic agent. It has the role of synthetic oral contraceptive. It has the role of Hsp90 inhibitor. It has the role of eukaryotic translation elongation factor 1alpha 1 inhibitor. Its functional parent is lonidamine. It is also related to or classified as dichlorobenzene . It is also related to or classified as organofluorine compound . It is also related to or classified as indazoles, olefinic compound, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>C([C@H](/C=C/C=C/C=C/[C@H](CCCC([O-])=O)O)O)/C=C\CCCCCO</smiles> is A leukotriene anion that is the conjugate base of 20-hydroxy-6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is 6-trans-leukotriene B4(1-). It is also related to or classified as omega-hydroxy-long-chain fatty acid anion . It is also related to or classified as leukotriene anion.
The molecule <smiles>N1(C(C=2C(=CC=CC2C)N=C1CN3C4=C(C(N)=NC=N4)N=C3)=O)C5=C(C)C=CC=C5</smiles> is A member of the class of quinazolines that is quinazolin-4(3H)-one carrying (6-amino-9H-purin-9-yl)methyl, 2-methylphenyl and methyl substituents at positions 2, 3 and 5 respectively. It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is also related to or classified as 6-aminopurines . It is also related to or classified as quinazolines, biaryl.
The molecule <smiles>C(\C=C/C=C/C=C/[C@H]([C@H](CCCCCO)O)O)=C/[C@H](CCCC([O-])=O)O</smiles> is A lipoxin anion that is the conjugate base of 20-hydroxy-lipoxin B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is lipoxin B4(1-). It is also related to or classified as omega-hydroxy-long-chain fatty acid anion . It is also related to or classified as lipoxin anion.
The molecule <smiles>NCC(N1[C@@H](CCC1)C(=O)NC=2C=CC3=C(C2)C=CC=C3)=O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycyl-L-proline with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C(=O)(CCCC(O)=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC=CC3</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of N-glutaryl-L-phenylalanine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.  It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as L-phenylalanine derivative.
The molecule <smiles>C(=O)([C@@H](N)CCC(=O)O)NCC(=O)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the C-terminal carboxy group of L-glutamylglycyl-L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as tripeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C(=O)(CN)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycylglycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C(O)([C@@H](N)CCCNC(=N)SC)=O</smiles> is an L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It has the role of neuroprotective agent. It is also related to or classified as L-ornithine derivative, imidothiocarbamic ester, non-proteinogenic L-alpha-amino acid, L-arginine derivative.
The molecule <smiles>N(CC(=O)NC=1C=C(C2=C(C1)C=CC=C2)OC)C([C@@H](NC(=O)C=3C=CC=CC3)C(C)C)=O</smiles> is A dipeptide amide obtained by formal condensation of the carboxy group of N-benzoyl-L-valylglycine with the amino group of 4-methoxy-2-naphthylamine. It has the role of chromogenic compound.    It is also related to or classified as dipeptide . It is also related to or classified as benzamides, naphthalenes, aromatic ether.
The molecule <smiles>C(C[C@@H](C(NC=1C=CC2=C(C1)C=CC=C2)=O)NC(=O)C=3C=CC=CC3)CNC(=N)N</smiles> is an N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.  It is also related to or classified as N-{5-carbamimidamido-1-[(naphthalen-2-yl)amino]-1-oxopentan-2-yl}benzamide . It is also related to or classified as L-arginine derivative.
The molecule <smiles>N=1N(C(=C(C1C(=O)NN2CCCCC2)C)C3=CC=C(C=C3)I)C4=CC=C(C=C4Cl)Cl</smiles> is A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor. It has the role of antidepressant. It has the role of antineoplastic agent. It has the role of apoptosis inducer. It has the role of CB1 receptor antagonist. It is also related to or classified as dichlorobenzene .  It is also related to or classified as carbohydrazide . It is also related to or classified as organoiodine compound . It is also related to or classified as pyrazoles, amidopiperidine.
The molecule <smiles>C(=O)(C1=CC=C(C=C1)/C=C/C2=CC3=C(C(CC=C3C4=CC=CC=C4)(C)C)C=C2)O</smiles> is A member of the class of dihydronaphthalenes that is 1,2-dihydronaphthalene which is substituted at positions 1, 1, 4, and 6 by methyl, methyl, phenyl, and 2-(p-carboxyphenyl)vinyl groups, respectively (the E isomer). It is a potent retinoic acid receptor gamma (RARbeta) agonist that acts as an antagonist against RARalpha and RARgamma. It has the role of teratogenic agent. It has the role of retinoic acid receptor alpha antagonist. It has the role of retinoic acid receptor beta agonist. It has the role of retinoic acid receptor gamma antagonist. It is also related to or classified as benzoic acids, stilbenoid, dihydronaphthalenes.
The molecule <smiles>CC(=N)NCC1=CC(CN)=CC=C1</smiles> is an aralkylamine that is Nbenzylacetamidine substituted at position 3 on the benzene ring by an aminomethyl group. An inhibitor of nitric oxide synthase. It has the role of geroprotector. It has the role of angiogenesis inhibitor. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is also related to or classified as aralkylamine . It is also related to or classified as carboxamidine . It is also related to or classified as primary amino compound.
The molecule <smiles>[C@H]1([C@@H]([C@@H](CC(O1)O)O)O)CO</smiles> is A deoxygalactose that is D-galactopyranose in which the hydroxy group at position 2 has been replaced by a hydrogen. It has the role of metabolite. It is also related to or classified as deoxygalactose .
The molecule <smiles>C1([C@@H]([C@]2(O[C@@H]([C@H]([C@]2(O1)[H])O)O)[H])O)=O</smiles> is A carbohydrate lactone obtained by intramolecular condensation of the 6-carboxy group with the 3-hydroxy group of alpha-mannofuranuronic acid. It has the role of metabolite.  It is also related to or classified as gamma-lactone . It is also related to or classified as carbohydrate lactone, furofuran.
The molecule <smiles>[C@@H]1(O)[C@H](O)[C@@H](O)[C@](OC1O)([C@H](O)CO)[H]</smiles> is an aldoheptose that is the D-glycero-diastereomer of D-gulo-heptopyranose. It has the role of plant metabolite. It is also related to or classified as aldoheptose .
The molecule <smiles>N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CCCNC(=N)N)C(CNC(=O)CNC(=O)OCC=3C=CC=CC3)=O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of N-carbobenzyloxy-glycylglycyl-L-arginine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as tripeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C(CCC([O-])=O)CCC/C=C\C=C\[C@H](C/C=C\CCCCC)O</smiles> is an icosanoid anion anion that is the conjugate base of 12(S)-HETrE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is all-cis-icosa-8,11,14-trienoate. It is also related to or classified as hydroxyicosatrienoate.
The molecule <smiles>C(=O)(CN)N[C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC3=CNC4=C3C=CC=C4</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of glycyl-L-tryptophan with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C(=O)([C@@H](N)CC(C)C)NCC(=O)NC=1C=CC2=C(C1)C=CC=C2</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-leucylglycine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C1([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[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. It is also related to or classified as oligosaccharide phosphate, glucosamine oligosaccharide, amino octasaccharide.
The molecule <smiles>C1=CC2=C(C=C1)[N+](=C(C(C2(C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)O)C)[O-]</smiles> is A member of the class of quinoline N-oxides that is 2-methyl-1-oxo-4-3,4-dihydroquinoline-3,4-diol carrying an additional (2E,6E)-farnesyl group at position 4. It has the role of bacterial metabolite.  It is also related to or classified as tertiary alcohol . It is also related to or classified as secondary alcohol . It is also related to or classified as quinoline N-oxide, olefinic compound.
The molecule <smiles>C(O)[C@H]1OC(O)C[C@@H]1O</smiles> is A deoxypentose that is D-ribofuranose in which the hydroxy group at position C-2 is replaced by hydrogen. It has the role of mouse metabolite. It has the role of Saccharomyces cerevisiae metabolite. It has the role of human metabolite. It is also related to or classified as deoxypentose .
The molecule <smiles>C(=O)(C=1C=CC=CC1)N[C@H](C(=O)NC=2C=CC3=C(C2)C=CC=C3)CC(C)C</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of N-benzoyl-L-leucine with the amino group of 2-naphthylamine. It has the role of chromogenic compound.  It is also related to or classified as N-(2-naphthyl)carboxamide . It is also related to or classified as L-phenylalanine derivative.
The molecule <smiles>C1([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[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)COP(=O)(O)O)O)O)O)O)O)NC(C)=O)O)NC(C)=O)O</smiles> is an oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. It is also related to or classified as oligosaccharide phosphate, glucosamine oligosaccharide, amino octasaccharide.
The molecule <smiles>N([C@H](C(=O)NC=1C=CC2=C(C1)C=CC=C2)CC=3C=CC(=CC3)O)C([C@@H](N)CO)=O</smiles> is an N-(2-naphthyl)carboxamide obtained by formal condensation of the carboxy group of L-seryl-L-tyrosine with the amino group of 2-naphthylamine. It has the role of chromogenic compound. It is also related to or classified as dipeptide . It is also related to or classified as N-(2-naphthyl)carboxamide .
The molecule <smiles>C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCCC)O)CCCCCCC([O-])=O</smiles> is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human xenobiotic metabolite. Its functional parent is prostaglandin G1(1-). It is also related to or classified as prostaglandin carboxylic acid anion, oxylipin anion.
The molecule <smiles>C([C@@H](CC)O)C/C=C\C/C=C\C/C=C\C/C=C\CCCC([O-])=O</smiles> is A 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human xenobiotic metabolite. It is also related to or classified as 18-HETE(1-) .
The molecule <smiles>C(=C\C\C=C/C=C/[C@H](C/C=C\C/C=C\CC)OO)\CCCC([O-])=O</smiles> is A 12-HPEPE anion that is the conjugate base of 12(S)-HpEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. Its functional parent is all-cis-5,8,11,14,17-icosapentaenoate. It is also related to or classified as 12-HPEPE(1-) . It is also related to or classified as hydroperoxyicosapentaenoate.
The molecule <smiles>O(C[C@@H](C(CO)=O)O)P([O-])(=O)[O-]</smiles> is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-erythrulose 4-phosphate. Major structure at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>C1[C@H]2[C@@H]([C@H]([C@@H]1OO2)/C=C/[C@H](CCCC(C)O)O)CCCCCCC([O-])=O</smiles> is A prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human xenobiotic metabolite. It is also related to or classified as prostaglandin carboxylic acid anion, oxylipin anion.