anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C\\C(=C\\C(=O)[O-])\\C)/C is a retinoate that is the conjugate base of 11-cis-retinoic acid, obtaained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11-cis-retinoic acid.
The molecule CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C is an acetate ester resulting from the formal condensation of the primary hydroxy group of fludrocortisone with acetic acid. A synthetic corticosteroid, it has glucocorticoid actions about 10 times as potent as hydrocortisone, while its mineralocorticoid actions are over 100 times as potent. It is used in partial replacement therapy for primary and secondary adrenocortical insufficiency in Addison's disease and for the treatment of salt-losing adrenal hyperplasia. Its functional parent is fludrocortisone . It is also related to or classified as tertiary alpha-hydroxy ketone  .   It is also related to or classified as 11beta-hydroxy steroid  .  It is also related to or classified as acetate ester  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as mineralocorticoid , 17alpha-hydroxy steroid , 20-oxo steroid , fluorinated steroid .
The molecule O1[C@@H](O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)CO)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C O1[C@@H](O[C@H]([C@@H](O)[C@H](O)[C@H](O)CO)CO)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C is A glycosyl alditol consisting of alpha-L-fucopyranose and D-glucitol residues joined in sequence by a (1->2) glycosidic bond. Its functional parent is D-glucitol . Its functional parent is alpha-L-fucose . It is also related to or classified as glycosyl alditol .
The molecule CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O is an anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. It derives from a 9,10-anthraquinone.
The molecule C=1C=C(C=CC1C(=O)OCCO)C(=O)O C=1C=C(C=CC1C(=O)OCCO)C(=O)O is A dicarboxylic acid monoester that resulting from the formal condensation of one of the carboxy groups of terephthalic acid with one of the hydroxy groups of ethylene glycol. Its functional parent is terephthalic acid . Its functional parent is ethylene glycol . It is a conjugate acid of 4-[(2-hydroxyethoxy)carbonyl]benzoate . It is also related to or classified as dicarboxylic acid monoester .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2C(=O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4C(=O)O)OC5=CC=C(C=C5)[N+](=O)[O-])O)O)CO)O)O)CO)O)O is an amino tetrasaccharide consisting of alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNAc-(1->4)-beta-D-GlcA in which the hydrogen attached to the anomeric oxygen is replaced by a 4-nitrophenyl group. It is a glycoside, a C-nitro compound, an amino tetrasaccharide and a carbohydrate acid derivative.
The molecule CC(CCC/C=C\\C/C=C\\CCCCCCCC(=O)[O-])O is an (omega-1)-hydroxy-long-chain fatty acid anion that is the conjugate base of (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a polyunsaturated fatty acid anion and an (omega-1)-hydroxy-long-chain fatty acid anion. It is a conjugate base of a (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid.
The molecule C12C3C4C5C1[Zr]23451234C5C1C2C3C45 C12C3C4C5C1[Zr]23451234C5C1C2C3C45 is A bis(eta(5)-cyclopentadienyl)metal(II) having Zr(II) as the metal(II) species. The parent of the class of zirconocenes. It is also related to or classified as zirconocenes , bis(eta(5)-cyclopentadienyl)metal(II) .
The molecule O=C1C(C2=CC=C(OC3O[C@H]([C@H](O)[C@H]([C@H]3OC)O)C)C=C2)=COC4=C1C=CC(=C4)OC5O[C@H]([C@H](O)[C@H]([C@H]5OC)O)C O=C1C(C2=CC=C(OC3O[C@H]([C@H](O)[C@H]([C@H]3OC)O)C)C=C2)=COC4=C1C=CC(=C4)OC5O[C@H]([C@H](O)[C@H]([C@H]5OC)O)C is Daidzein G1. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[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)O)C6=CC=C(C=C6)O)O)O)O)O is a glycosyloxyflavone that is kaempferol having gentiobiosyl and alpha-L-rhamnosyl residues attached at positions O-3 and O-7 respectively. It has a role as a plant metabolite. It is a glycosyloxyflavone, a dihydroxyflavone, an alpha-L-rhamnoside, a gentiobioside, a disaccharide derivative and a polyphenol. It derives from a kaempferol.
The molecule CCCCCCCCCCCCCCCCCCCCCC(C(C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)COP(=O)([O-])OC3[C@@H]([C@H](C([C@H]([C@H]3O)O)O)O)O)O)O)O)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCC)O)O)O)O is an inositol phosphomannosylinositol phosphophytoceramide(2-) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid. Major species at pH 7.3. It is a conjugate base of an Ins-1-P-6-Man-beta1-2-Ins-1-P-Cer(t18:0/2,3-OH-24:0).
The molecule COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(O)c1)c(OC)c2=O is A trimethoxyflavone that is  quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups. It has the role of plant metabolite . Its functional parent is quercetin . It is a conjugate acid of 3',5-dihydroxy-3,4',7-trimethoxyflavone(1-) . It is also related to or classified as trimethoxyflavone , dihydroxyflavone .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCC/C=C\\CCCCCC is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-2-(11Z)-octadecenoyl-sn-glycero-3-phosphate. It is a 1,2-diacyl-sn-glycerol 3-phosphate(2-) and a 1-oleoyl-2-acyl-sn-glycero-3-phosphate(2-). It is a conjugate base of a 1-oleoyl-2-(11Z)-octadecenoyl-sn-glycero-3-phosphate.
The molecule C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Na+].[Na+].[Na+] is the organic sodium salt of ethylenediaminetetraacetic acid (EDTA) in which three sodium cations are associated with one trianion of EDTA. It contains an EDTA(3-).
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)CO)O)O)O)O is a linear amino tetrasaccharide comprising alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-beta-D-galactosamine residues in a (2->6), (1->4) and (1->3) sequence. alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc in which the anomeric configuration of the GalNAc residue at the reducing end is beta. It has a role as an epitope. It is an amino tetrasaccharide, a glucosamine oligosaccharide, a galactosamine oligosaccharide and an alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-GalpNAc.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)O)OC)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is a polyprenylhydroquinone in which the polyprenyl substituent is decaprenyl at C-2; a methoxy group is also present at C-6. It is a polyprenylhydroquinone and a member of hydroquinones.
The molecule C(=O)(C(=[NH2+])C[C@H](O)[C@H](O)CO)[O-] C(=O)(C(=[NH2+])C[C@H](O)[C@H](O)CO)[O-] is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the imino group of (4S,5R)-4,5,6-trihydroxy-2-iminohexanoic acid; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule CCCCCCCCCCCC/C=C/CC(=O)O is a hexadecenoic acid having a trans-double bond at the 3-position. It has a role as a plant metabolite.
The molecule [H+].[H+].[O-]S([O-])(=O)=O.NC(=N)NCCN1CCCCCCC1 [H+].[H+].[O-]S([O-])(=O)=O.NC(=N)NCCN1CCCCCCC1 is A organic sulfate salt obtained from guanethidine and sulfuric acid in a 1:1 ratio. It has the role of antihypertensive agent . It is also related to or classified as organic sulfate salt .
The molecule CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)O is an N-acyllysophosphatidylethanolamine in which both the N- and O-acyl group are specified as palmitoyl (hexadecanoyl). It derives from a hexadecanoic acid. It is a conjugate acid of a N,1-dipalmitoyl-sn-glycero-3-phosphoethanolamine(1-).
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OS(O)(=O)=O)[C@@H](OP(O)(O)=O)[C@H]1O is an adenosine bisphosphate having monophosphate groups at the 3'- and 5'-positions and a sulfo group attached to the phosphate at position 5'. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is 5'-adenylyl sulfate . Its functional parent is adenosine 3',5'-bismonophosphate . It is a conjugate acid of 3'-phosphonato-5'-adenylyl sulfate(4-) . It is also related to or classified as adenosine bisphosphate , acyl sulfate , purine ribonucleoside bisphosphate .
The molecule C[C@@H]([C@H](CC(=O)C(=O)[O-])O)O is a ketoaldonate and a member of fuconates. It derives from a L-fuconate. It is a conjugate base of a 2-dehydro-3-deoxy-L-fuconic acid.
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C4=CC=CC=C4)O is the simplest member of the class of benzoyl-CoAs that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of benzoic acid. It has a role as a mouse metabolite. It derives from a benzoic acid. It is a conjugate acid of a benzoyl-CoA(4-).
The molecule CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 is 3'-demethylstaurosporine. Its functional parent is staurosporine . It is also related to or classified as indolocarbazole alkaloid .
The molecule C1=C(C(=O)[C@H]2[C@@H](C1=O)O2)CO is an epoxide resulting from epoxidation of the 5-6 double bond of 2-(hydroxymethyl)-1,4-benzoquinone (the 5S,6R enantiomer). It has a role as a Penicillium metabolite. It is an epoxide, a cyclic ketone and a primary allylic alcohol.
The molecule C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC4=CC(=O)C=C[C@]34C is a synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid. It has a role as a prodrug, an anti-inflammatory drug, an antineoplastic agent, an immunosuppressive agent and an adrenergic agent. It is a 20-oxo steroid, an 11-oxo steroid, a 21-hydroxy steroid, a 17alpha-hydroxy steroid, a glucocorticoid, a 3-oxo-Delta(1),Delta(4)-steroid, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone.
The molecule C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O is a fluoroalkanoic acid that is perfluorinated decanoic acid. It has a role as a xenobiotic and an environmental contaminant. It derives from a decanoic acid.
The molecule C1=CC=C(C=C1)C2=CC(=CC=C2)O is a member of the class of hydroxybiphenyls that is phenol in which the hydrogen at position 3 has been replaced by a phenyl group.
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)C2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO)C2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO is A glycosylmannose consisting of two D-mannopyranose residues joined by a (1->2) glycosidic bond. Its functional parent is D-mannopyranose . It is also related to or classified as glycosylmannose .
The molecule CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@H]([C@H](CCCC(=O)[O-])O)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+] is the leukotriene anion that is the dianion of leukotriene C4 arising from deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group. It has a role as a human metabolite. It is a peptide anion and a leukotriene anion. It is a conjugate base of a leukotriene C4.
The molecule C(=O)(/C(/[NH3+])=C/[C@H](O)[C@H](O)CO)[O-] C(=O)(/C(/[NH3+])=C/[C@H](O)[C@H](O)CO)[O-] is an amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of (2Z,4S,5R)-2-amino-4,5,6-trihydroxyhex-2-enoic acid; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule C([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O is dianion of D-erythritol 4-phosphate arising from deprotonation of both OH groups of the phosphate. It is a conjugate base of a D-erythritol 4-phosphate.
The molecule C(=O)(/C(/N)=C/[C@H](O)[C@H](O)CO)O C(=O)(/C(/N)=C/[C@H](O)[C@H](O)CO)O is A hexonic acid derivative that is (2Z,4S,5R)-4,5,6-trihydroxyhex-2-enoic acid substituted at position 2 by an amino group. It is also related to or classified as alpha-amino acid  . It is also related to or classified as hexonic acid derivative .
The molecule C=1(O)C(=CC(=CC1)C2=C(C=C(C=C2)F)F)C(NN3C(CSC3C4=CC=CC=C4F)=O)=O C=1(O)C(=CC(=CC1)C2=C(C=C(C=C2)F)F)C(NN3C(CSC3C4=CC=CC=C4F)=O)=O is 5-(2,4-Difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide. It has the role of anticoronaviral agent . It is also related to or classified as biphenyls .
The molecule Nc1ccc(Cl)cc1 Nc1ccc(Cl)cc1 is A chloroaniline in which the chloro atom is para to the aniline amino group. It is also related to or classified as chloroaniline , monochlorobenzenes .
The molecule CC[Si](C)(C)C is an organosilicon compound that is silane in which the hydrogens have been replaced by three methyl and one ethyl group.
The molecule [C@@H](CCC/C=C\CCCCCCCCC)([C@H]([C@H](CO)[NH3+])O)O [C@@H](CCC/C=C\CCCCCCCCC)([C@H]([C@H](CO)[NH3+])O)O is A cationic sphingoid that is the conjugate acid of (4R)-hydroxysphing-(8Z)-enine, obtained by protonation of the primary amino function; major species at pH 7.3. It is also related to or classified as sphingoid base(1+)  .
The molecule CC[C@@H]1[C@@H](/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)C is a macrolide antibiotic that is narbonolide having a 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue attached at position 6. It is biosynthesised by Streptomyces venezuelae. It has a role as a bacterial metabolite. It is a macrolide antibiotic, a monosaccharide derivative and an enone. It derives from a narbonolide. It is a conjugate base of a narbomycin(1+).
The molecule N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N is (2S)-2-cyano-1-(4-phenyl-L-phenylalanyl)pyrrolidine. It is also related to or classified as biphenyls , N-acylpyrrolidine , pyrrolidinecarbonitrile , L-phenylalanine derivative .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCC(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (12R)-12-hydroxytridecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside, a monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from an ascr#22 and a (12R)-12-hydroxytridecanoic acid.
The molecule [NH3+]CCC(=O)N[C@@H](Cc1c[nH]cn1)C([O-])=O [NH3+]CCC(=O)N[C@@H](Cc1c[nH]cn1)C([O-])=O is zwitterionic form of carnosine. It is a conjugate acid of carnosinate . It is also related to or classified as amino-acid zwitterion .
The molecule CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C is a 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine betaine which has octadecyl as the alkyl group. PAF is a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. It has a role as an antihypertensive agent, a beta-adrenergic antagonist, a hematologic agent, a vasodilator agent and a bronchoconstrictor agent.
The molecule C1=CC(=CC=2C=CN(C21)S(=O)(=O)C3=CC=C(C=C3)C)C(OC4=CC(=CN=C4)Cl)=O C1=CC(=CC=2C=CN(C21)S(=O)(=O)C3=CC=C(C=C3)C)C(OC4=CC(=CN=C4)Cl)=O is (5-Chloropyridin-3-yl) 1-(4-methylphenyl)sulfonylindole-5-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as indolyl carboxylic acid .
The molecule C(C(CO)(CO)N)O is a primary amino compound that is tert-butylamine in which one hydrogen attached to each methyl group is replaced by a hydroxy group. A compound widely used as a biological buffer substance in the pH range 7--9; pKa = 8.3 at 20 ℃; pKa = 7.82 at 37 ℃. It has a role as a buffer. It is a triol and a primary amino compound. It is a conjugate base of a member of Htris.
The molecule CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC is a phosphatidylcholine 30:0 in which the acyl group specified at positions 1 and 2 is pentadecanoyl. It derives from a pentadecanoic acid.
The molecule CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\\C)/C=C/C=C(\\C)/C=C/C=C(\\C)/C(=O)O)/C)/C is a monocarboxylic acid that results from the oxidation of the aldehyde group of 4'-apo-beta-carotenal to the corresponding carboxylic acid. It is an apo carotenoid C35 terpenoid and a monocarboxylic acid. It is a conjugate acid of a neurosporaxanthin(1-).
The molecule Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O Oc1ccc(cc1O)-c1oc2c(O)c(O)cc(O)c2c(=O)c1O is A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. It has the role of plant metabolite . It is a conjugate acid of gossypetin-3-olate . It is a conjugate acid of gossypetin(1-) .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as hexahydroxyflavone .
The molecule CCCCCCCCCCCCCCCCC[C@H]([C@H](COP(=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)NC(=O)CCCCCCCCCCCCC)O is an inositol inositol C20 phosphodihydroceramide(1-) in which the N-acyl group is specified as myristoyl; major species at pH 7.3. It is an inositol C20 phosphodihydroceramide(1-) and an Ins-1-P-Cer-A 34:0(1-).
The molecule C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)N is a tetrapeptide composed of L-alanine, L-valine, L-aspartic acid, and L-serine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-alanine, a L-valine, a L-aspartic acid and a L-serine.
The molecule CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 CN1CCCC(CC2c3ccccc3Sc3ccccc23)C1 is metixene. It has the role of histamine antagonist . It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It is also related to or classified as piperidines , thioxanthenes .
The molecule [O-]P(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+] is an inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt. It has a role as a food emulsifier and a chelator. It contains a diphosphate(4-).
The molecule CCC1=C2C(=CC=C1)C3=C(N2)[C@@](OCC3)(CC)CC(=O)O is the R-enantiomer of etodolac. It is inactive, in contrast to the enantiomer, (S)-etodolac, which is a preferential inhibitor of cyclo-oxygenase 2 and a non-steroidal anti-inflammatory. The racemate is commonly used for the treatment of rheumatoid arthritis and osteoarthritis, and for the alleviation of postoperative pain. It is an enantiomer of a (S)-etodolac.
The molecule C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](C(O1)O)O)O)O)O is a deoxyheptose that is L-glycero-D-manno-heptopyranose in which the 7-hydroxy group is substituted by hydrogen. It derives from a D-mannopyranose.
The molecule COB(OC)C#C COB(OC)C#C is dimethyl ethynylboronate.  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as alkynylboronic ester .
The molecule CCCCCCCC/C=C\\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is a 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-eicosenoic acid. It is a long-chain fatty acyl-CoA, a Delta(11)-fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It is a conjugate acid of an (11Z)-eicosenoyl-CoA(4-).
The molecule C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)O)(C)C(=O)O is an abietane diterpenoid lacking the isopropyl substituent with an aromatic C-ring and a hydroxy group at the 12-position. It derives from a hydride of a podocarpane.
The molecule CC1=C(SC(=N1)C(=O)[O-])CCOP(=O)([O-])OP(=O)([O-])OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O is a organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid; major species at pH 7.3. It is an organophosphate oxoanion and a monocarboxylic acid anion. It derives from an ADP(3-). It is a conjugate base of an ADP-5-ethyl-4-methylthiazole-2-carboxylic acid.
The molecule C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.C[N+](C)(C)C.COC1=CC(=C(C=C1NC(=O)C2=CC(=C(C=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)[O-])Cl)C(=O)[O-])OC)N6CCOCCN(CCOCCOCC6)C7=C(C=C(C(=C7)OC)NC(=O)C8=CC(=C(C=C8)C9=C1C=C(C(=O)C=C1OC1=CC(=C(C=C19)Cl)[O-])Cl)C(=O)[O-])OC is a quaternary ammonium salt that is the tetrakis(N,N,N-trimethylmethammonium) salt of 5-({[4-(13-{4-[({3-carboxy-4-[(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)methyl]phenyl}carbonyl)amino]-2,5-bis(methyloxy)phenyl}-1,4,10-trioxa-7,13-diazacyclopentadecan-7-yl)-2-hydroxy-5-(methyloxy)phenyl]amino}carbonyl)-2-(2,7-dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid. It has a role as a fluorochrome.
The molecule [57Fe] is the stable isotope of iron with relative atomic mass 56.935399, 2.1 atom percent natural abundance and nuclear spin 1/2.
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC=O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of formic acid. It has a role as an Escherichia coli metabolite. It derives from a formic acid. It is a conjugate acid of a formyl-CoA(4-).
The molecule C1=CC=C(C=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC=CC=C4)C=C3)C5=CC=C(C=C5)NC6=CC=CC=C6 is an aromatic amime that is the base component of spirit blue dye (the hydrochloride salt). It has a role as a dye. It is a secondary amino compound, an aromatic amine, an imine and an olefinic compound. It is a conjugate base of a spirit blue(1+).
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@@H](O[C@H]1C)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO O([C@H]1[C@@H](O)[C@H](O)[C@@H](O[C@H]1C)O)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO is A glycosylfucose consisting of beta-D-glucopyranose and alpha-L-fucopyranose residues joined in sequence by a (1->4) glycosidic bond. Its functional parent is beta-D-glucose . Its functional parent is alpha-L-fucose . It is also related to or classified as glycosylfucose .
The molecule [NH3+][C@@H](CCC(=O)N[C@@H](CSC(C=C)(CO)C)C(=O)NCC(=O)[O-])C(=O)[O-] [NH3+][C@@H](CCC(=O)N[C@@H](CSC(C=C)(CO)C)C(=O)NCC(=O)[O-])C(=O)[O-] is an S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of S-(1-hydroxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3. It is also related to or classified as S-substituted glutathione(1-)  .
The molecule C[C@@H]1CC[C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O is a polyketide that is 1-ethyl-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene in which one of the methyl hydrogens from the ethyl group is replaced by a 4-hydroxy-6-ketopyran-2-yl group. It has a role as an anticholesteremic drug, an Aspergillus metabolite and an EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor. It is a polyketide, a secondary alcohol, a member of 2-pyranones and a member of hexahydronaphthalenes.