anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=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)CO)O)O)O)O)O)O)O)[C@@H](C(CCCCCCCCCCCCCC)O)O is a mannosylated ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen, with hydroxylation at C-4 of the long-chain base. It has a role as a Saccharomyces cerevisiae metabolite. It derives from an Ins-1-P-Cer(t18:0/24:0). It is a conjugate acid of a Man-beta1-2-Ins-1-P-Cer(t18:0/24:0)(1-).
The molecule C[C@@](CO)(OP(O)(O)=O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O C[C@@](CO)(OP(O)(O)=O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O is 4-CDP-2-C-methyl-D-erythritol 2-phosphate. It has the role of Escherichia coli metabolite . It is a conjugate acid of 4-CDP-2-C-methyl-D-erythritol 2-phosphate(4-) .   It is also related to or classified as nucleotide-alditol  . It is also related to or classified as alditol 4-phosphate , tetritol phosphate .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCCC(=O)[O-] is a hexatriacontatetraenoate that is the conjugate base of (21Z,24Z,27Z,30Z)-hexatriacontatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (21Z,24Z,27Z,30Z)-hexatriacontatetraenoic acid.
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)CC4CCCCC4 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO)C)CN(C)CC4CCCCC4 is 1-[(3S,9S,10R)-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]-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)C12CCC(=C)C1C2 is a thujene that is a bicyclic monoterpene isolated from the essential oils of various plant species. It has a role as a plant metabolite.
The molecule NC(=O)CC(=O)C(O)=O NC(=O)CC(=O)C(O)=O is A dicarboxylic acid monoamide that is  succinamic acid substituted by an oxo group at position 2. Its functional parent is succinamic acid . It is a conjugate acid of 2-oxosuccinamate . It is also related to or classified as oxo carboxylic acid , dicarboxylic acid monoamide .
The molecule C=1(C(=O)OC2=CC(=CN=C2)Cl)C=3NC=CC3C=CC1 C=1(C(=O)OC2=CC(=CN=C2)Cl)C=3NC=CC3C=CC1 is (5-Chloropyridin-3-yl) 1H-indole-7-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as indoles .
The molecule [O-]C(=O)[C@H](CS([O-])(=O)=O)OP([O-])([O-])=O [O-]C(=O)[C@H](CS([O-])(=O)=O)OP([O-])([O-])=O is A quadruply-charged carboxyalkyl phosphate oxoanion resulting from global deprotonation of (2R)-O-phospho-3-sulfolactic acid. Its functional parent is (R)-lactate . It is also related to or classified as O-phospho-3-sulfolactate(4-)  . It is also related to or classified as carboxyalkyl phosphate oxoanion .
The molecule C[C@]12CCC3=C([C@@H]1C(=O)C(=C2)Cl)C(=O)C=C4[C@@]3([C@@H]([C@H](C=C4)Cl)Cl)CCl is an androstanoid that is androsta-3,5,8,16-tetraene substituted by chloro groups at positions 1, 2, 16 and 19 and oxo groups at positions 7 and 15 (the 1beta,2alpha stereoisomer). It is isolated from burrowing sponge Cliona nigricans and exhibits cytotoxic efficacy. It has a role as a metabolite and an antineoplastic agent. It is a 15-oxo steroid, a 7-oxo steroid, an androstanoid and a chlorinated steroid.
The molecule CCC(CC(=O)O)O is a short-chain fatty acid that is valeric acid in which one of the methylene hydrogens at position 3 has been replaced by a hydroxy group. It is a short-chain fatty acid, a 3-hydroxy fatty acid and a ketone body. It derives from a valeric acid.
The molecule Cc1cccc(O)c1C(O)=O Cc1cccc(O)c1C(O)=O is A monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group. It has the role of plant metabolite . It has the role of Penicillium metabolite . Its functional parent is salicylic acid . It is a conjugate acid of 6-methylsalicylate . It is also related to or classified as monohydroxybenzoic acid .
The molecule CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCC(=O)O)N is a tripeptide composed of L-glutamic acid, L-isoleucine and L-serine joined by peptide linkages. It has a role as a metabolite. It derives from a L-glutamic acid, a L-isoleucine and a L-serine.
The molecule CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C([N-]2)C=CC(=C3)OC.[Mg+2] is a magnesium salt resulting from the formal reaction of magnesium hydroxide with 2 mol eq. of esomeprazole. An inhibitor of gastric acid secretion, it is used for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome. It has a role as an EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor and an anti-ulcer drug. It contains an esomeprazole(1-).
The molecule C1=CC=C2CN(C(C)=O)[C@H](C(OC3=CC(=CN=C3)Cl)=O)CC2=C1 C1=CC=C2CN(C(C)=O)[C@H](C(OC3=CC(=CN=C3)Cl)=O)CC2=C1 is (5-Chloropyridin-3-yl) (3S)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as alpha-amino acid ester  .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)F is 1-[[(3S,9R,10R)-16-(benzenesulfonamido)-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 CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H]1O CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H]1O is an amino disaccharide consisting of a beta-D-glucopyranuronic acid residue and an alpha-D-glucopyranose residue joined in sequence by a (1->4) glycosidic bond. It is also related to or classified as amino disaccharide .
The molecule [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.CCCCCNC(=N)N\N=C\c1c[nH]c2ccc(OC)cc12 is tegaserod maleate. It has the role of serotonergic agonist . It is also related to or classified as maleate salt .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O)O)O is a trisaccharide consisting of an alpha-D-glucopyranose and two alpha-D-galactopyranose residues joined in sequence by (1->6) and (1->2) glycosidic bonds.
The molecule [C@@H]1(C(=O)NC(=O)N1)NC(=O)N is an optically active form of allantoin having (R)-(-)-configuration. It has a role as a mouse metabolite. It is an enantiomer of a (S)-(+)-allantoin.
The molecule C1[C@H](NC(S1)CS(=O)(=O)O)C(=O)O is a thiazolidinemonocarboxylic acid that is L-thioproline with a sulfomethyl group at position 2. It has a role as a metabolite. It is a thiazolidinemonocarboxylic acid, an organosulfonic acid and a thioproline. It derives from a L-thioproline.
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-] is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 are hexadecanoyl and 12-[(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino]dodecanoyl respectively. It has a role as a fluorescent probe.
The molecule N[C@@H](CCCCNO)C(O)=O N[C@@H](CCCCNO)C(O)=O is the N(6)-hydroxy derivative of L-lysine.  It is also related to or classified as N-hydroxy-alpha-amino-acid  . It is also related to or classified as hydroxy-L-lysine .
The molecule C1=C(C=C(C(=C1C(=O)O)I)I)I is a member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 2, 3 and 5 are replaced by iodine atoms. It is an auxin polar transport inhibitor. It has a role as a member of antiauxins. It is an organoiodine compound and a member of benzoic acids.
The molecule CCC(C)C(=O)O[C@H]1[C@H]2[C@H]([C@@H]([C@@](C[C@H](C[C@@H](C1=O)C)O)(C)O)OC(=O)C(C)C)OC(=O)C2=C is a germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon). It has a role as a metabolite and an antineoplastic agent. It is a cyclic ketone, a diol, a secondary alcohol, a tertiary alcohol and a germacranolide.
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCC(=O)O is a very long-chain omega-6 fatty acid that is dotriacontapentaenoic acid having five double bonds located at positions 14, 17, 20, 23 and 26 (the 14Z,17Z,20Z,23Z,26Z-isomer). It is a dotriacontapentaenoic acid and an omega-6 fatty acid. It is a conjugate acid of a (14Z,17Z,20Z,23Z,26Z)-dotriacontapentaenoate.
The molecule CC1=CC(=O)C2=C(C=C(C=C2O1)O)[O-] is a phenolate anion obtained by deprotonation of the 7-hydroxy group of noreugenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as a plant metabolite. It is a conjugate base of a noreugenin.
The molecule C[C@H](CC[C@@H](CC(=O)[O-])C(=C)C)O is an optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4S,7R)-4-isopropenyl-7-methyloxepan-2-one. It is a conjugate base of a (3S,6R)-6-hydroxy-3-isopropenylheptanoic acid.
The molecule CCOC(=O)C1=CC=C(C=C1)N(C)C is a benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4. It is a benzoate ester, a tertiary amino compound and an ethyl ester.
The molecule C[C@@H]([NH3+])C([O-])=O C[C@@H]([NH3+])C([O-])=O is zwitterionic form of D-alanine. It is also related to or classified as alanine zwitterion  .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C is a penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain. It has a role as an antibacterial drug. It is a penicillin and a penicillin allergen. It is a conjugate acid of a carbenicillin(2-).
The molecule C[C@H]1CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C C[C@H]1CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@@H](CC[C@@H](O3)CCN(C1=O)C)OC)C#N)C is LSM-38302. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O is a thienopyridine that is 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylacetic acid substituted by a 2-chlorophenyl group at position 2. It is a metabolite of the drug clopidogrel. It has a role as a marine xenobiotic metabolite and a drug metabolite. It is a member of monochlorobenzenes, a thienopyridine, a monocarboxylic acid and a tertiary amino compound.
The molecule O([C@@H]1[C@@H](O)[C@@H](O)[C@H](OC1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@@H]1[C@@H](O)[C@@H](O)[C@H](OC1O)CO)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is A glycosylgalactose consisting of beta-L-fucopyranose and D-galactopyranose residues joined in sequence by a (1->2) glycosidic bond. Its functional parent is D-galactopyranose . Its functional parent is beta-L-fucose . It is also related to or classified as glycosylgalactose .
The molecule C(CC(=O)[O-])[C@H](C(=O)[O-])[NH3+] is an alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group It is a conjugate base of a D-glutamic acid. It is a conjugate acid of a D-glutamate(2-). It is an enantiomer of a L-glutamate(1-).
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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H]([C@H]3O)C=O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O[C@@]1(C[C@@H]([C@H]([C@@H](O1)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O)NC(=O)C)O)O)O)CO)O)O is a branched amino decasaccharide comprising a sequence of alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl, beta-D-galactosyl, beta-D-glucosyl and 2,5-anydro-D-mannose residues linked sequentially (2->3), (1->4), (1->3), (1->4) and (1->6), to the N-acetyl-glucosaminyl residue of which is linked also (1->6) an alpha-sialyl-(2->3)-beta-D-galactosyl disaccharide unit, while to the 2,5-anhydro-D-mannose residue at the reducing end is also linked (1->4) a further alpha-sialyl(2->3)-beta-D-galactosyl disaccharide unit. Obtained by depolymerisation of the group B Streptococcus (GBS) type III capsular polysaccharide during which process the 2,5-anhydro-D-mannose residue is formed from a the original reducing-end N-acetyl-glucosaminyl residue (PMID:28439022). It has a role as an epitope.
The molecule [H][C@]12C[C@@H](O)[C@H](\C=C\C(=O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O [H][C@]12C[C@@H](O)[C@H](\C=C\C(=O)CCCCC)[C@@]1([H])C\C(O2)=C\CCCC([O-])=O is conjugate base of 15-dehydro-prostaglandin I2. It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)N is a dipeptide formed from L-lysine and L-phenylalanine residues. It has a role as a metabolite. It derives from a L-lysine and a L-phenylalanine.
The molecule NC1=NCC2N1c1ccccc1Cc1ccccc21 NC1=NCC2N1c1ccccc1Cc1ccccc21 is A benzazepine that is 6,11-dihydro-5H-dibenzo[b,e]azepine in which the azepine ring is fused to the e side of 4,5-dihydro-1H-imidazol-2-amine. It has the role of H1-receptor antagonist . It has the role of histamine antagonist . It has the role of anti-allergic agent . It has the role of ophthalmology drug .  It is also related to or classified as benzazepine  . It is also related to or classified as guanidines .
The molecule CCCCCCCCCCCCCCCCCC(=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)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a glycotriaosylceramide having alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/18:0). It has a role as a mouse metabolite. It derives from an octadecanoic acid.
The molecule O[C@H]1CO[C@H](O)[C@@H](O)[C@H]1O O[C@H]1CO[C@H](O)[C@@H](O)[C@H]1O is A L-ribopyranose with a beta-configuration at the anomeric position. It is also related to or classified as L-ribopyranose  .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)OP(=O)(O)O is a UDP-amino sugar having 3-O-phosphono-N-acetyl-alpha-D-glucosamine as the amino sugar component. It derives from an UDP-D-glucosamine. It is a conjugate acid of an UDP-N-acetyl-alpha-D-glucosamine 3-phosphate(4-).
The molecule O=CNC1=C(OC(CN)CC1)OC2C(O)C(OC3OCC(O)(C)C(C3O)NC)C(N)CC2N O=CNC1=C(OC(CN)CC1)OC2C(O)C(OC3OCC(O)(C)C(C3O)NC)C(N)CC2N is G-367 S1. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule [H]C(CCCC(O)=O)=CCC([H])=CCC([H])=CC([H])=CCCCCCC [H]C(CCCC(O)=O)=CCC([H])=CCC([H])=CC([H])=CCCCCCC is any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 13. It is also related to or classified as icosatetraenoic acid  .
The molecule OC[C@@H](OP(O)(O)=O)C(O)=O OC[C@@H](OP(O)(O)=O)C(O)=O is A 2-phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration. 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 . Its functional parent is D-glyceric acid . It is a conjugate acid of 2-phosphonato-D-glycerate(3-) . It is also related to or classified as 2-phosphoglyceric acid  .
The molecule CCN\\1C2=CC=CC=C2S/C1=C\\C=C\\C=C\\C3=[N+](C4=CC=CC=C4S3)CC.[I-] is an organic iodide salt and a member of benzothiazoles. It has a role as a fluorochrome and an anthelminthic drug. It contains a dithiazanine.
The molecule CN(C)[C@@H](Cc1c[nH]cn1)C(O)=O CN(C)[C@@H](Cc1c[nH]cn1)C(O)=O is the N(alpha),N(alpha)-dimethyl derivative of L-histidine. It has the role of fungal metabolite . It is also related to or classified as N(alpha)-methyl-L-histidines .
The molecule C[NH+]1CCC2=CC(=C(C=C2[C@@H]1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CC[NH+]5C)OC)O)O)O)OC is dication of berbamunine arsing from protonation of both tertiary amino groups; major species at pH 7.3. It is a conjugate acid of a berbamunine.
The molecule O1C(OC(COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO O1C(OC(COC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)CO)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO is A glycosylglycerol that is 1-O-(D-glucosyl)glycerol in which the secondary hydroxy group of the glycerol moiety has been converted into the corresponding D-galactopyranoside. Its functional parent is D-galactopyranose . Its functional parent is 1-O-(D-glucosyl)glycerol . It is also related to or classified as glycosylglycerol .
The molecule CCCCCCCCCCCCN1CC(OCC1C)C is a member of the class of morpholines that is 2,5-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a dodecyl group. It is a member of morpholines and a tertiary amino compound. It contains a dodecyl group.
The molecule C1COCCN1[C@H]2[C@@H]([C@@H](CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CC/C=C\\CCC(=O)O is a (4Z)-7-{5-[([1,1'-biphenyl]-4-yl)methoxy]-2-(morpholin-4-yl)-3-oxocyclopentyl}hept-4-enoic acid in which the stereocentres at positions 1, 2 and 5 have S-, S- and R-configuration respectively. It is a conjugate acid of a (1S,2S,5R)-AH23848(1-). It is an enantiomer of a (1R,2R,5S)-AH23848.
The molecule CCC(=O)N(C)C[C@H]1[C@@H]([C@H](N1C(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3 CCC(=O)N(C)C[C@H]1[C@@H]([C@H](N1C(=O)C)CO)C2=CC=C(C=C2)C3=CCCCC3 is N-[[(2R,3S,4S)-1-acetyl-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylpropanamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CN1CC[C@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC CN1CC[C@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(C[C@H](CC1=O)C4=CC=CC=C4)C)C#N)OC is LSM-38309. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCC(=O)C1=C(C(=C(C(=C1O)Cl)OC)Cl)O is a differentiation-inducing factor that is hexaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. It has a role as a eukaryotic metabolite and a signalling molecule. It is a monomethoxybenzene, a member of resorcinols, a differentiation-inducing factor and a dichlorobenzene. It derives from a (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one. It is a conjugate acid of a 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one(1-).
The molecule CC[C@@H]([C@H](C)/C=C/C[C@H]1CO[C@H]([C@@H]([C@@H]1O)O)[C@@H](/C(=C/C(=O)OCCCCCCCC(=O)NC2=C3C(=CSS3)NC2=O)/C)O)O is an organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria. It has a role as an antibacterial agent, an antimicrobial agent and a bacterial metabolite. It is an enoate ester, a lactam and an organosulfur heterocyclic compound.
The molecule CC1=C(C(=C(C=C1)C(=O)O)N)[O-] is the conjugate base of 3-hydroxy-4-methylanthranilic acid. It is a hydroxybenzoate and an aminobenzoate. It derives from an anthranilate. It is a conjugate base of a 3-hydroxy-4-methylanthranilic acid.
The molecule C(CCCC(O)=O)CCC\C=C/C=C/C(CCCCC)=O C(CCCC(O)=O)CCC\C=C/C=C/C(CCCCC)=O is an oxooctadecadienoic acid that consists of 9Z,11E-octadecadienoic acid bearing an additional 13-keto substituent. In addtion it has been found as a natural product found in Carthamus oxyacantha. It has the role of metabolite . It has the role of mouse metabolite . Its functional parent is 13-HODE . It is a conjugate acid of 13-oxo-9Z,11E-ODE(1-) . It is also related to or classified as 13-oxo-9,11-octadecadienoic acid  .
The molecule [H]C(=O)CCC[NH2+]CCCNC(C)=O [H]C(=O)CCC[NH2+]CCCNC(C)=O is conjugate acid of N-(3-acetamidopropyl)-4-aminobutanal arising from deprotonation of the secondary amino function. It is a conjugate acid of N-(3-acetamidopropyl)-4-aminobutanal . It is also related to or classified as ammonium ion derivative .
The molecule OC(=O)COP(O)(O)=O OC(=O)COP(O)(O)=O is the O-phospho derivative of glycolic acid. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is glycolic acid . It is a conjugate acid of 2-phosphoglycolate . It is a conjugate acid of 2-phosphonatoglycolate(3-) . It is also related to or classified as carboxyalkyl phosphate .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H](/C=C/CCCCCCCCCCCCC)O is a sphingomyelin d18:1 in which the N-acyl group is specified as docosanoyl It has a role as a mouse metabolite. It is a sphingomyelin 40:1 and a sphingomyelin d18:1. It derives from a docosanoic acid.
The molecule C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N.Cl is a hydrochloride salt resulting from the reaction of equimolar amounts of 9-aminoacridine and hydrogen chloride. It has a role as an antiinfective agent, an antiseptic drug and a mutagen. It contains a 9-aminoacridine(1+).
The molecule O[C@@H]([C@@H](CC([O-])=O)C([O-])=O)C([O-])=O O[C@@H]([C@@H](CC([O-])=O)C([O-])=O)C([O-])=O is an isocitrate(3-) that is the conjugate base of L-threo-isocitric acid. It has the role of fundamental metabolite . It is also related to or classified as isocitrate(3-)  .
The molecule [H]C(=O)CP(O)(O)=O [H]C(=O)CP(O)(O)=O is A phosphonic acid consisting of acetaldehyde with the phospho group at the 2-position. It has the role of mouse metabolite . Its functional parent is acetaldehyde . Its functional parent is phosphonic acid . It is a conjugate acid of phosphonoacetaldehyde(1-) . It is also related to or classified as phosphonic acids .
The molecule C(C(C(=O)O)N)OP(=O)(O)O is a serine derivative that is serine substituted at the oxygen atom by a phosphono group. It has a role as a human metabolite. It is a non-proteinogenic alpha-amino acid, a serine derivative and an O-phosphoamino acid. It is a conjugate acid of an O-phosphonatooxyserine(2-).
The molecule O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O O[C@@H]([C@H](CC(O)=O)C(O)=O)C(O)=O is the D-erythro-stereoisomer of isocitric acid. It is a conjugate acid of D-erythro-isocitrate(3-) . It is also related to or classified as isocitric acid  .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCC/C=C/C(=O)O)O)OC(=O)C2=CNC3=CC=CC=C32 is a 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E,8R)-8-hydroxynon-2-enoic 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, an alpha,beta-unsaturated monocarboxylic acid and an (omega-1)-hydroxy fatty acid ascaroside. It derives from an ascr#3 and a (2E,8R)-8-hydroxynon-2-enoic acid.
The molecule CC[C@]1(C)O[C@@H]1CC\C(C)=C\CC\C(C)=C\C([O-])=O CC[C@]1(C)O[C@@H]1CC\C(C)=C\CC\C(C)=C\C([O-])=O is conjugate base of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid. It is also related to or classified as monocarboxylic acid anion  .
The molecule CC(=CCC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)C is a stilbenoid that is the 5-O-methyl ether derivative of vedelianin. Isolated from Macaranga alnifolia, it exhibits cytotoxic activity. It has a role as a metabolite. It is a stilbenoid, a member of resorcinols, an organic heterotricyclic compound and a cyclic ether. It derives from a vedelianin.