anonymous041/ChEBI-Augmented huggingface dataset:
The molecule OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O is an oxonium betaine obtained by deprotonation of the 7-hydroxy group of delphinidin 3-O-beta-D-glucoside-5-O-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 oxonium betaine .
The molecule [H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2 [H][C@@]12CC(=O)N1[C@@H](C(O)=O)C(C)(C)S2 is A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. It is also related to or classified as penicillanic acids .
The molecule COc1cc(O)c2c(c1)n(C)c1c(O)c(Oc3cccc4c3n(C)c3c5[C@H](O)[C@H](Oc5cc(O)c3c4=O)C(C)C)ccc1c2=O COc1cc(O)c2c(c1)n(C)c1c(O)c(Oc3cccc4c3n(C)c3c5[C@H](O)[C@H](Oc5cc(O)c3c4=O)C(C)C)ccc1c2=O is Atalanine. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule C(CC(=O)O)[C@@H](C(=O)N[C@@H](CO)C(=O)O)N is a dipeptide composed of L-glutamic acid and L-serine joined by a peptide linkage. It has a role as a metabolite. It derives from a L-glutamic acid and a L-serine.
The molecule C(=C/O)\[C@@H](CC/C=C(/C=O)\C)C C(=C/O)\[C@@H](CC/C=C(/C=O)\C)C is an 8-oxocitronellyl enol in which the chiral centre has R configuration. It is also related to or classified as 8-oxocitronellyl enol  .
The molecule Oc1c(Cl)cccc1Cl Oc1c(Cl)cccc1Cl is A dichlorophenol with the chloro substituents at positions 2 and 6. It is also related to or classified as dichlorophenol .
The molecule C1=2C=3C=CC=CC3SC1=CC=CC2 C1=2C=3C=CC=CC3SC1=CC=CC2 is A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. It has the role of keratolytic drug . It is also related to or classified as dibenzothiophenes , mancude organic heterotricyclic parent .
The molecule CC1N[C@@H](C(O)=O)C(C)(C)S1 CC1N[C@@H](C(O)=O)C(C)(C)S1 is A trimethyl-substituted thiazolidine carboxylic acid derived by cleavage of and loss of C=O from the azetidine ring of penicillanic acid. Its functional parent is penicillanic acid . It is also related to or classified as monocarboxylic acid , thiazolidines .
The molecule NC(=[NH2+])NCCS([O-])(=O)=O NC(=[NH2+])NCCS([O-])(=O)=O is zwitterionic form of taurocyamine arising from transfer of a proton from the sulfo to the guanidino group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCC(=O)CC(=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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoic acid. It is a 3-oxo-fatty acyl-CoA, an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It derives from a (21Z,24Z,27Z,30Z)-hexatriacontatetraenoic acid. It is a conjugate acid of a (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4-).
The molecule CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC(COCC)=C(C=C1)C1=C(C=CC=C1)S(=O)(=O)NC1=NOC(C)=C1C CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC(COCC)=C(C=C1)C1=C(C=CC=C1)S(=O)(=O)NC1=NOC(C)=C1C is A biphenyl that is 1,1'-biphenyl substituted by (4,5-dimethyl-1,2-oxazol-3-yl)aminosulfonyl, ethoxymethyl, and (2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl groups at positions 2, 2' and 4', respectively. It is a dual antagonist of endothelin and angiotensin II receptors approved for the reduction of proteinuria in adults with primary immunoglobulin A nephropathy at risk of rapid disease progression. It has the role of antihypertensive agent . It has the role of endothelin A receptor antagonist . It has the role of angiotensin receptor antagonist . It has the role of nephroprotective agent .  It is also related to or classified as sulfonamide  .  It is also related to or classified as isoxazoles  . It is also related to or classified as biphenyls , azaspiro compound , benzyl ether .
The molecule C(=C/O)\C(CC/C=C(/C=O)\C)C C(=C/O)\C(CC/C=C(/C=O)\C)C is an alpha,beta-unsaturated aldehyde that is octa-2,7-dienal which is substituted by a hydroxy group at position 8, methyl groups at positions 2 and 6, and in which both double bonds have E configuration. It is also related to or classified as terpenoid  . It is also related to or classified as enol  . It is also related to or classified as alpha,beta-unsaturated aldehyde .
The molecule C[C@@H]([NH2+][C@@H](CCCC[NH3+])C([O-])=O)C([O-])=O C[C@@H]([NH2+][C@@H](CCCC[NH3+])C([O-])=O)C([O-])=O is A D-alpha-amino acid zwitterion that is D-lysopine arising from transfer of two protons from the carboxy to the amino groups; the major species at pH 7.3. It is also related to or classified as D-alpha-amino acid zwitterion  .
The molecule NCCCC([O-])=O NCCCC([O-])=O is an gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid. It has the role of human metabolite . Its functional parent is butyrate . It is also related to or classified as gamma-amino acid anion .
The molecule O=C(O)CN=C1C(OC)=C(NC(CO)C)CC(C1)(O)CO O=C(O)CN=C1C(OC)=C(NC(CO)C)CC(C1)(O)CO is Palythinol. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)N[C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O)O [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)N[C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O)O is an amino cyclitol that is (1S,2S,3R,6S)-6-amino-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,2S,3R,4R,5S,6S)-2,3,4,6-tetrahydroxy-5-(hydroxymethyl)cyclohexyl group. It is also related to or classified as secondary amino compound , amino cyclitol .
The molecule CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C is a 3-oxo Delta(4)-steroid that is progesterone which has been oxidised to introduce a double bond between positions 1 and 2. It is a 20-oxo steroid and a 3-oxo-Delta(1),Delta(4)-steroid. It derives from a progesterone. It derives from a hydride of a steroid fundamental parent.
The molecule NC(=O)c1c(Cl)cccc1Cl NC(=O)c1c(Cl)cccc1Cl is A member of the class of  benzamides that is benzamide substituted by chloro groups at positions 2 and 6. It has the role of herbicide . It has the role of marine xenobiotic metabolite .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as benzamides .
The molecule C(=C/O)\[C@H](CC/C=C(/C=O)\C)C C(=C/O)\[C@H](CC/C=C(/C=O)\C)C is an 8-oxocitronellyl enol in which the chiral centre has S configuration. It is also related to or classified as 8-oxocitronellyl enol  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCCC2CCSS2)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OC(=O)CCCCC2CCSS2)[C@@H](O)[C@H]1O is conjugate base of lipoyl-AMP arising from deprotonation of the free phosphate OH group. It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O)O [C@@H]1([C@@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)[NH2+][C@@H]2[C@@H]([C@H]([C@@H](C(=C2)CO)O)O)O)O is A secondary ammonium ion resulting from the protonation of the amino group of validoxylamine B; major species at pH 7.3. It is a conjugate acid of validoxylamine B . It is also related to or classified as secondary ammonium ion  .
The molecule O(C1=C(C=C2C3(OC(C4=C3C=CC=C4)=O)C=5C(OC2=C1)=CC(=C(C5)CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)OC(C)=O)CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C(C)=O O(C1=C(C=C2C3(OC(C4=C3C=CC=C4)=O)C=5C(OC2=C1)=CC(=C(C5)CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)OC(C)=O)CN(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C(C)=O is an organic heteropentacyclic compound that is  calcein in which all four carboxy group hydrogens have been substituted by (acetyloxy)methoxy groups and the hyrodgens of the two hydroxy groups have been substituted by acetyl groups. It is a a non-fluorescent probe cleaved to a fluorescent probe by non-specific intracellular esterases. It has the role of fluorochrome . Its functional parent is calcein . It is also related to or classified as gamma-lactone  .     It is also related to or classified as acetate ester  . It is also related to or classified as xanthene dye , oxaspiro compound , organic heteropentacyclic compound , 2-benzofurans .
The molecule C(=C/C(=O)O)\\C=C(\\C(=O)[O-])/[O-] is a hexadienedioate compound having a 2-hydroxy substituent. It derives from a muconate. It is a conjugate base of a (2Z,4E)-2-hydroxymuconic acid.
The molecule Cl[Cr](Cl)(=O)=O Cl[Cr](Cl)(=O)=O is chromyl dichloride. Its functional parent is chromic acid . It is also related to or classified as chromium coordination entity .
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCN CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCN is an  aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 4-aminobutanoic acid. Its functional parent is butyryl-CoA . Its functional parent is gamma-aminobutyric acid . It is a conjugate acid of 4-aminobutanoyl-CoA(3-) . It is also related to or classified as aminobutanoyl-CoA .
The molecule CC[C@H](C)C(=O)Nc1ncc(nc1CCCNC(N)=[NH2+])-c1c[nH]c2ccccc12 CC[C@H](C)C(=O)Nc1ncc(nc1CCCNC(N)=[NH2+])-c1c[nH]c2ccccc12 is the conjugate acid of oxidized Cypridina luciferin arising from selective protonation of the guanidino group; major species at pH 7.3. It is a conjugate acid of oxidized Cypridina luciferin . It is also related to or classified as guanidinium ion  .
The molecule CC(=CCC1=C(C(=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)O)O)C is a pentahydroxyflavone that is flavone substituted with hydroxy groups at positions 3, 5, 7, 3' and 4' and prenyl groups at positions 6 and 5'. Isolated from Broussonetia papyrifera, it exhibits inhibitory activity against phospholipase A2 and tyrosinase. It has a role as a metabolite, an EC 3.1.1.4 (phospholipase A2) inhibitor and an EC 1.14.18.1 (tyrosinase) inhibitor. It is a member of flavonols, a pentahydroxyflavone and a 3'-hydroxyflavonoid.
The molecule C/C=C/C=C/C=C/[C@H](C/C=C/C=O)O C/C=C/C=C/C=C/[C@H](C/C=C/C=O)O is A polyunsaturated fatty aldehyde that is (2E,6E,8E,10E)-dodeca-2,6,8,10-tetraenal in which the pro-S hydrogen at position 5 has been replaced by a hydroxy group.  It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as medium-chain fatty aldehyde  . It is also related to or classified as hydroxy fatty aldehyde , alpha,beta-unsaturated aldehyde , polyunsaturated fatty aldehyde .
The molecule CC(C)C12CCC(C)(O1)C(C2)OCC1=C(F)C=CC=C1Br CC(C)C12CCC(C)(O1)C(C2)OCC1=C(F)C=CC=C1Br is an oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-bromo-6-fluorophenyl)methoxy group.     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as cineole , bromobenzenes , oxabicycloalkane , benzyl ether .
The molecule CC1=C(C(=O)N(N1)C)C(=O)C2=C(C=C(C=C2)Cl)Cl is a member of the class of pyrazoles that is pyrazolynate in which the tosylate ester has been hydrolysed to the corresponding hydroxy compound. The active herbicide of the proherbicides pyrazolynate and pyrazoxyfen. It has a role as an EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor, an agrochemical, a carotenoid biosynthesis inhibitor and a herbicide. It is a member of acetophenones, a dichlorobenzene, a member of pyrazoles, an organic hydroxy compound and a pyrazole pesticide.
The molecule C([C@H]1[C@]23C=CC[C@]2(CC([C@@]3(CC1)[H])(C)C)C)([O-])=O C([C@H]1[C@]23C=CC[C@]2(CC([C@@]3(CC1)[H])(C)C)C)([O-])=O is major microspecies at pH 7.3 of silphinene-15-oic acid. Its functional parent is silphinene . It is also related to or classified as sesquiterpenoid .
The molecule OC[C@H]1O[C@@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O is 1-O-(indol-3-ylacetyl)-beta-D-glucose. Its functional parent is beta-D-glucose . It is also related to or classified as indolyl carbohydrate , indoleacetic acid ester conjugate .
The molecule OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc(cc(O)c2O)-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is an anthocyanin cation consisting of delphinidin with three beta-D-glucosyl residues attached to the 3-, 3'- and 5-hydroxy groups. Its functional parent is delphinidin . It is a conjugate acid of delphinidin 3,3',5-tri-O-beta-D-glucoside betaine . It is also related to or classified as 5-hydroxyanthocyanin O-beta-D-glucoside  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as anthocyanin cation  .
The molecule OC[C@@H]1OC(O)[C@H](O)[C@H]1O OC[C@@H]1OC(O)[C@H](O)[C@H]1O is the five-membered ring form of L-arabinose. It is also related to or classified as L-arabinose  .
The molecule [H][C@@]12C[C@H](O)[C@@]3([H])C(C)(C)[C@H](CC[C@@]33C[C@@]13CC[C@]1(C)[C@]([H])([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@@]12C[C@H](O)[C@@]3([H])C(C)(C)[C@H](CC[C@@]33C[C@@]13CC[C@]1(C)[C@]([H])([C@@H](O)C[C@@]21C)[C@@]1(C)CC[C@H](O1)C(C)(C)O)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A triterpenoid saponin that is cycloastragenol with a 2-O-beta-D-glucopyranosyl-beta-D-xylopyranosyl moiety attached at position 3 via a glycosidic linkage. Its functional parent is cycloastragenol . It is also related to or classified as triterpenoid saponin , disaccharide derivative .
The molecule C1C[C@H](N(C1)C(=O)CN)C(=O)O is a dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group. It has a role as a metabolite. It derives from a glycine and a L-proline. It is a tautomer of a Gly-Pro zwitterion.
The molecule O[C@H](C(O)=O)c1ccc(O)cc1 O[C@H](C(O)=O)c1ccc(O)cc1 is A 4-hydroxymandelic acid that has S-configuration. It is a conjugate acid of (S)-4-hydroxymandelate . It is also related to or classified as 4-hydroxymandelic acid  . It is also related to or classified as (2S)-2-hydroxy monocarboxylic acid  .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C([O-])=O)[C@@H](O)[C@H]1O is dianion of deamido-NAD(+) arising from deprotonation of phosphate and carboxylic acid functions. It is also related to or classified as organophosphate oxoanion .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)OC4C5=CC=CC=C5C(=O)O4)C is a penicillanic acid ester that is the 1-phthalidyl ester of ampicillin. It is a prodrug of ampicillin. It has a role as a prodrug. It derives from an ampicillin and an o-phthalaldehydic acid.
The molecule NCC(O)CC(O)=O NCC(O)CC(O)=O is A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. Its functional parent is butyric acid . It is a conjugate acid of 4-amino-3-hydroxybutanoate . It is also related to or classified as gamma-amino acid , 3-hydroxy monocarboxylic acid .
The molecule CC(C)=CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CC(C)=CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O is trianion of geranyl diphosphate arising from deprotonation of the three OH groups of the diphosphate; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(C)=O [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(C)=O is an androstanoid that is the acetate derivative of  testosterone. It has the role of human metabolite . Its functional parent is testosterone . It is also related to or classified as sterol ester  . It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as androstanoid .
The molecule O=C/1NCC(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2 O=C/1NCC(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2 is Dipodazine. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[n+]2cccc(c2)C(O)=O)[C@@H](O)[C@H]1O is deamido-NAD zwitterion. It is a conjugate acid of deamido-NAD(2-) . It is also related to or classified as nicotinic acid dinucleotide .
The molecule CC1=CN(C=N1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C1=CC=C(F)C=C1 CC1=CN(C=N1)C1=CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)NC(=O)C1=CC=C(F)C=C1 is an aza-steroid that is (8xi,9xi,14xi)-androsta-5,16-diene substituted by (4-fluorobenzoyl)amino and 4-methyl-1H-imidazol-1-yl groups at positions 3S and 17, respectively. It is a potent anti-cancer agent that inhibits androgen synthesis and CYP17A1. It has the role of androgen antagonist . It has the role of antineoplastic agent . It has the role of EC 1.14.99.9 (steroid 17alpha-monooxygenase) inhibitor .  It is also related to or classified as secondary carboxamide  .   It is also related to or classified as aza-steroid  . It is also related to or classified as monofluorobenzenes  . It is also related to or classified as androstane sterol , benzamides , imidazoles .
The molecule CCCCCCCCCCCCCCCC1CCCC(=O)O1 is a delta-lactone obtained by intramolecular condensation of the 5-hydroxy and carboxy groups of 5-hydroxyicosanoic acid. A nonenzymatic oxidation product of arachidonic acid.
The molecule [H]C(=O)CCCN [H]C(=O)CCCN is an omega-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite .  It is also related to or classified as omega-aminoaldehyde  . It is also related to or classified as aminobutanal .
The molecule OC(=O)[C@@H]1CCC[NH2+]1 OC(=O)[C@@H]1CCC[NH2+]1 is an optically active form of prolinium having L-configuration. It has the role of human metabolite . It is a conjugate acid of L-proline . It is also related to or classified as prolinium  .
The molecule Nc1ccc(cc1)C([O-])=O Nc1ccc(cc1)C([O-])=O is an  aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . Its functional parent is benzoate . It is also related to or classified as aminobenzoate , aromatic amino-acid anion .
The molecule [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C(=O)NCc1ccccc1 [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](NC(=O)[C@H](N)c1ccc(O)cc1)C(=O)NCc1ccccc1 is amide formed between amoxicillin and benzylamine. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as thiazolidinemonocarboxylic acid .
The molecule [C@]12([C@@H]([C@](O[C@]3(O1)[C@H]([C@H](O[C@]3(CC2=O)C)C)C([O-])=O)([C@H](C)/C=C(\C)/C=C/C(=C/4\C(NCC4=O)=O)/[O-])[H])C)[H] [C@]12([C@@H]([C@](O[C@]3(O1)[C@H]([C@H](O[C@]3(CC2=O)C)C)C([O-])=O)([C@H](C)/C=C(\C)/C=C/C(=C/4\C(NCC4=O)=O)/[O-])[H])C)[H] is A carboxylic acid dianion that is a dianion resulting from the deprotonation of the carboxy group and the enol group of nocamycin E. The major species at pH 7.3. It has the role of bacterial metabolite . It is also related to or classified as carboxylic acid dianion .
The molecule C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COP(=O)([O-])[O-])O)O)CO)O)O)O)O is dianion of beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate arising from deprotonation of both phosphate OH groups. It is a conjugate base of a beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate.
The molecule C(=O)([C@@H](N)CO)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C C(=O)([C@@H](N)CO)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C is A tripeptide formed from L-serine, L-leucine and L-serine residues joined in sequence by peptide linkages. Its functional parent is L-leucine . Its functional parent is L-serine . It is also related to or classified as tripeptide  .
The molecule O(C1=C(C(C)C)C=CC(=C1)C)CC(O)=O O(C1=C(C(C)C)C=CC(=C1)C)CC(O)=O is 2-(2-Isopropyl-5-methylphenoxy)acetic acid. Its functional parent is phenoxyacetic acid . It is also related to or classified as organic molecular entity .
The molecule C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@H](C)CO is 2-fluoro-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](N)C(=O)NCc1ccccc1 [H][C@]1(N[C@@H](C(O)=O)C(C)(C)S1)[C@H](N)C(=O)NCc1ccccc1 is amide formed between 6-aminopenicillanic acid and benzylamine. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as thiazolidinemonocarboxylic acid .
The molecule OC(/C=C\C(\N)=C/C(C(O)=O)=O)=O OC(/C=C\C(\N)=C/C(C(O)=O)=O)=O is an amino dicarboxylic acid that is 4-aminohepta-2,4-dienoic acid which is substituted at position 6 by an oxo group [the (2Z,4E) isomer]. It is a conjugate acid of (2Z,4E)-4-amino-6-oxohepta-2,4-dienedioate .    It is also related to or classified as enamine  . It is also related to or classified as dicarboxylic fatty acid , oxo dicarboxylic acid , amino dicarboxylic acid .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N is a nine amino acid peptide which is formed when angiotensin converting enzyme 2 (ACE2) hydrolyzes the carboxy terminal leucine from angiotensin I. It is a anti-cardiac hypertrophy agent. It has a role as a human metabolite, a rat metabolite, an antihypertensive agent and a cardioprotective agent. It is a tautomer of an angiotensin (1-9) dizwitterion.
The molecule C(=O)([C@@H](N)CCCCN)N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=2C=CC=CC2NC1)CO C(=O)([C@@H](N)CCCCN)N[C@H](C(=O)N[C@H](C(=O)O)CC=1C=2C=CC=CC2NC1)CO is A tripeptide composed of L-lysine, L-serine and L-tryptophan joined in sequence by peptide linkages. Its functional parent is L-tryptophan . Its functional parent is L-serine . Its functional parent is L-lysine . It is also related to or classified as tripeptide  .
The molecule C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@@H](C)CO C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CC=NC=C3)O[C@H]1CN(C)C(=O)C4=CC=CC=C4F)[C@@H](C)CO is 2-fluoro-N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(2-pyridin-4-ylethynyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .