anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)(CCO)SC[C@H](N)C(O)=O CC(C)(CCO)SC[C@H](N)C(O)=O is A cysteine thioether that is the S-(4-hydroxy-2-methylbutan-2-yl) derivative of L-cysteine. It is a major component of the urine of the domestic cat. It has the role of pheromone . It has the role of mammalian metabolite . It is also related to or classified as L-cysteine thioether , non-proteinogenic L-alpha-amino acid .
The molecule [O-]C(=O)C(=C)OP([O-])([O-])=O [O-]C(=O)C(=C)OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of phosphoenolpyruvic acid. It has the role of fundamental metabolite . It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O)CCC5=C3C=CC(=C5)O is a steroid glucuronide anion that is the conjugate base of 17-epiestriol 16-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a beta-D-glucosiduronate, a steroid glucosiduronic acid anion and a monocarboxylic acid anion. It is a conjugate base of a 17-epiestriol 16-O-(beta-D-glucuronide).
The molecule COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4cc3-c2cc1O COc1cc2CC[n+]3cc4cc(OC)c(OC)cc4cc3-c2cc1O is Pseudocolumbamine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule CCC(C)(O)C#N CCC(C)(O)C#N is A cyanohydrin in which the substituents on the alpha carbon are ethyl and methyl. It is also related to or classified as cyanohydrin  .
The molecule [H]C(C[N+](C)(C)C)=CC([O-])=O [H]C(C[N+](C)(C)C)=CC([O-])=O is 4-(trimethylammonio)but-2-enoate. Its functional parent is but-2-enoate . It is also related to or classified as amino-acid betaine .
The molecule OC[C@H](O)COP(O)(=O)OC[C@H](O)CO OC[C@H](O)COP(O)(=O)OC[C@H](O)CO is A glycerophosphoglycerol having (R,S)-configuration. It is a conjugate acid of sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as glycerophosphoglycerol  .
The molecule [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CCC(=O)C2 [H][C@]12CC[C@@]3([H])[C@]4([H])CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@]3([H])[C@@]1(C)CCC(=O)C2 is A 4,5-dihydrocortisone that has beta- configuration at position 5. It is also related to or classified as 3-oxo-5beta-steroid  . It is also related to or classified as 4,5-dihydrocortisone  . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .
The molecule C1=CC(=CC=C1C2=C([C@H](C3=C(C=C(C=C3O2)O)[O-])O)O)O is an organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a (4S)-2,3-dehydroleucopelargonidin.
The molecule CCCCC/C=C\\C/C=C\\C[C@H]1[C@H](O1)C/C=C\\CCCC(=O)[O-] is an 8,9-EET(1-) that is the conjugate base of (8R,9S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an (8R,9S)-EET. It is an enantiomer of an (8S,9R)-EET(1-).
The molecule C(C(=O)C(=O)[O-])(C(=O)[O-])O is a dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 2-hydroxy-3-oxosuccinic acid; major species at pH 7.3. It is a dicarboxylic acid dianion, an oxo carboxylic acid anion and a C4-dicarboxylate. It is a conjugate base of a 2-hydroxy-3-oxosuccinic acid.
The molecule [H][C@@]12Cc3ccc(O)c(OC)c3C=[N+]1CCc1cc(OC)c(OC)cc21 [H][C@@]12Cc3ccc(O)c(OC)c3C=[N+]1CCc1cc(OC)c(OC)cc21 is S-(-)-7,8-Didehydrocorydalmine. It has the role of metabolite . It is also related to or classified as isoquinolines .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O is an amino trisaccharide consisting of two D-galactose residues and an N-acetyl-D-glucosamine residue (at the reducing end) in a linear sequence. It is also related to or classified as glucosamine oligosaccharide , amino trisaccharide .
The molecule C1CC2CCCN2C1 C1CC2CCCN2C1 is A bicyclic organonitrogen heterocyclic compound comprised of two ortho-fused pyrrolidine rings which share a common nitrogen atom. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OCC3=C(C[C@@H](OC3=O)[C@@H](C)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5C[C@@H]7[C@]8([C@@]6(C(=O)C=C[C@@H]8O)C)O7)C)C)CO)O)O)O is a withanolide saponin that consists of withaferin A attached to a alpha-L-rhamnopyranosyl(1->4)-beta-D-glucopyranosyl residue via a glycosidic linkage. Isolated from the aerial parts of Physalis longifolia, it exhibits antineoplastic activity. It has a role as an antineoplastic agent and a plant metabolite. It is a withanolide saponin, a 4-hydroxy steroid, a disaccharide derivative, a delta-lactone, an ergostanoid and an epoxy steroid. It derives from a withaferin A.
The molecule OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O OCC(=O)[C@@H](O)[C@H](O)COP(O)(O)=O is the D-enantiomer of xylulose 5-phosphate. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . Its functional parent is D-xylulose . It is a conjugate acid of D-xylulose 5-phosphate(2-) . It is also related to or classified as xylulose 5-phosphate .
The molecule CCCCCCCCCCCCCCC[C@H](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)O is a 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxystearic acid. It is a (R)-3-hydroxyacyl-CoA, a 3-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an 11,12-saturated fatty acyl-CoA. It is a conjugate acid of a (R)-3-hydroxystearoyl-CoA(4-).
The molecule N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O N[C@@H]([C@H](O)COP(O)(O)=O)C(O)=O is 4-(phosphonooxy)-L-threonine. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of 4-(phosphonatooxy)-L-threonine(2-) . It is also related to or classified as O-phosphoamino acid , L-threonine derivative .
The molecule C(CC[NH2+]CC(=O)[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O)C[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid anion comprising fructoselysine 6-phosphate having deprotonated carboxy and phosphate groups and both amino groups protonated; major species at pH 7.3. It is an organophosphate oxoanion and a L-alpha-amino acid anion. It is a conjugate base of a fructoselysine 6-phosphate.
The molecule [H][C@@]12Cc3cc(OC)c(O)cc3C=[N+]1CCc1cc(OC)c(OC)cc21 [H][C@@]12Cc3cc(OC)c(O)cc3C=[N+]1CCc1cc(OC)c(OC)cc21 is S-(-)-7,8-Didehydro-10-O-demethylxylopinine. It has the role of metabolite . It is also related to or classified as isoquinolines .
The molecule OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O is A linear trisaccharide comprising D-glucose (at the reducing end) having an alpha-D-galactosyl-(1->4)-beta-D-galactosyl moiety at the 4-position. It is also related to or classified as trisaccharide .
The molecule N[C@@H](COP(O)(=O)OC[C@H](O)CO)C(O)=O N[C@@H](COP(O)(=O)OC[C@H](O)CO)C(O)=O is A glycerol 1-phosphoserine in which the glycero portion has R-configuration. It is a conjugate acid of sn-glycero-3-phosphoserine(1-) . It is also related to or classified as glycerol 1-phosphoserine  .
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@@H]([C@@H](CCCCCCCCCCC(C)C)O)O is an N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine in which the acyl group has 18 carbons and 0 double bonds. It is a N-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine and a 15-methylhexadecaphytosphingosine.
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCC is an ammonium ion that is the conjugate acid of 1,2-distearoylphosphatidylethanolamine, arising from protonation of the amino group. It is a conjugate acid of 1,2-distearoylphosphatidylethanolamine . It is also related to or classified as ammonium ion derivative .
The molecule C(=O)(NC(=O)[O-])NC(=O)[O-] is an organic anion resulting from the deprotonation of both of the carboxy groups of 1,3-dicarboxyurea. The major species at pH 7.3. It is a conjugate base of a 1,3-dicarboxyurea.
The molecule [H][C@]12Cc3ccccc3-c3c(OC)c(OC)c(O)c(CCN1)c23 [H][C@]12Cc3ccccc3-c3c(OC)c(OC)c(O)c(CCN1)c23 is R-(-)-3-hydroxynornuciferine. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is an amino disaccharide consisting of N-acetyl-D-glucosamine having an N-acetyl-alpha-D-galactosminyl resiude attached at the 4-position. It is also related to or classified as amino disaccharide .
The molecule C[C@H](C1=CN=C2C(=N1)C(=O)NC(=N2)N)NC3=CC=C(C=C3)C[C@@H]([C@@H]([C@@H](CO[C@@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])O)O)O)O)O is the organophosphate oxoanion and tetracarboxylic acid anion formed from tatiopterin by loss of a proton from the phospho group and from each of the four carboxy groups; major microspecies present at pH 7.3. It is an organophosphate oxoanion and a tetracarboxylic acid anion. It is a conjugate base of a tatiopterin.
The molecule C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O is a tetrahydroxyflavone that consists of isoorientin having a beta-glucosyl residue attached at position 2''. It has a role as a plant metabolite. It is a flavone C-glycoside, a tetrahydroxyflavone and a polyphenol. It derives from an isoorientin.
The molecule [H][C@]12OC(=O)C(O)(Cc3c[nH]c4ccccc34)[C@@]1(O)OC[C@@H]2O [H][C@]12OC(=O)C(O)(Cc3c[nH]c4ccccc34)[C@@]1(O)OC[C@@H]2O is an indolyl carbohydrate that consists of (3aS,6S,6aR)-3,3a,6-trihydroxy-3-tetrahydrofuro[3,2-b]furan-2-one in which position 3 is substituted by an indol-3-ylmethyl group. Formed from indole-3-carbinol and ascorbic acid in brassica vegetables. It has the role of metabolite . Its functional parent is L-ascorbic acid . It is also related to or classified as indolyl carbohydrate .
The molecule C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O is an N-acyl-L-tyrosine that is L-tyrosine in which one of the hydrogens of the amino group has been replaced by a benzoyl group. It is a N-acyl-L-tyrosine and a member of benzamides.
The molecule ClC1=C2NC(=O)C(=O)C=3C2=C(C=4C1=CC=CC4)C(OC)=C(OC)C3 ClC1=C2NC(=O)C(=O)C=3C2=C(C=4C1=CC=CC4)C(OC)=C(OC)C3 is 7-Chloro-6-demethylcepharadione B. Its functional parent is aporphine . It is also related to or classified as isoquinoline alkaloid .
The molecule CC1=NNC(=O)N(C1)/N=C/C2=CN=CC=C2 is a member of the class of 1,2,4-triazines that is 4,5-dihydro-1,2,4-triazin-3(2H)-one substituted by a methyl group at position 6 and a (pyridin-3-ylmethylidene)amino group at position 4. It has a role as an antifeedant, an environmental contaminant, a xenobiotic and a TRPV channel modulator. It is a member of 1,2,4-triazines and a member of pyridines.
The molecule O(C1[C@@H](O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO O(C1[C@@H](O)[C@@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO is Peruvianoside III. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)c(O)c(CCN1)c23 [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)c(O)c(CCN1)c23 is S-(+)-3-hydroxynornantenine. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .
The molecule CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is an alpha-D-Galp-(1->3)-D-GalpNAc in which the anomeric centre at the reducing end has alpha-configuration. It is also related to or classified as alpha-D-Galp-(1->3)-D-GalpNAc  . It is also related to or classified as D-Galp-(1->3)-D-GalpNAc  .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#1. It derives from an oscr#1. It is a conjugate acid of an oscr#1-CoA(4-).
The molecule C\C=C1\[C@@H](C)C(=O)N\C\1=C/C1=C(C)C(CCC([O-])=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC([O-])=O C\C=C1\[C@@H](C)C(=O)N\C\1=C/C1=C(C)C(CCC([O-])=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC([O-])=O is dicarboxylate anion of (3Z)-phytochromobilin. It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as linear tetrapyrrole anion .
The molecule C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+] is an organic sodium salt resulting from the formal condensation of Congo corinth (acid form) with two equivalents of sodium hydroxide. A histological dye used to stain frozen sections for rapid diagnosis and to demonstrate amuloid. It has a role as a fluorochrome and a histological dye. It contains a Congo corinth(2-).
The molecule [H][C@]12NCCc3cc4OCOc4c(-c4ccccc4[C@H]1O)c23 [H][C@]12NCCc3cc4OCOc4c(-c4ccccc4[C@H]1O)c23 is R-(-)-norushinsunine. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .
The molecule [Cl-].CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CC[NH+]3CCOCC3)c2c1 [Cl-].CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CC[NH+]3CCOCC3)c2c1 is A hydrochloride salt obtained from equimola amounts of moricizine and hydrogen chloride. It has the role of anti-arrhythmia drug . It is also related to or classified as hydrochloride .
The molecule OC1CC=C(CC(=O)C(O)=O)C=C1 OC1CC=C(CC(=O)C(O)=O)C=C1 is A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 4-hydroxycyclohexa-1,5-dien-1-yl group. Its functional parent is pyruvic acid . It is a conjugate acid of 3,4-dihydro-4-hydroxyphenylpyruvate . It is also related to or classified as secondary alcohol  . It is also related to or classified as 2-oxo monocarboxylic acid  .
The molecule [H+].[Cl-].C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 [H+].[Cl-].C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1 is dexrazoxane hydrochloride. It has the role of cardiovascular drug . It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of chelator . It is also related to or classified as hydrochloride .
The molecule C1=CC=C2C(=C1)C(=C(N2)S(=O)(=O)O)CCO is an indolyl alcohol that is tryptophol which is substituted by a sulfo group at position 2. It has a role as a plant metabolite. It is an indolyl alcohol and an organosulfonic acid. It derives from a tryptophol.
The molecule C(O)C(=O)[C@@H](O)[C@H](O)CO C(O)C(=O)[C@@H](O)[C@H](O)CO is the D-enantiomer of xylulose. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as xylulose  .
The molecule CC1=C2C=CC=C(C2=C(C3=C(C4=C(C=C13)C(=C(C(=C4O)C(=O)N)O)O)O)O)O is a member of the class of pretetramides that is 6-methyltetracene-2-carboxamide carrying six hydroxy substituents at positions 1, 3, 4, 10, 11 and 12. It has a role as a bacterial metabolite. It is a conjugate acid of a 4-hydroxy-6-methylpretetramide(1-).
The molecule N[C@H]1CCCCNC1=O N[C@H]1CCCCNC1=O is A 2-aminohexano-6-lactam derived from L-lysine. It is also related to or classified as 2-aminohexano-6-lactam  . It is also related to or classified as L-lysine derivative .
The molecule [H][C@]12Cc3cc(O)c(OC)cc3-c3c4OCOc4cc(CCN1)c23 [H][C@]12Cc3cc(O)c(OC)cc3-c3c4OCOc4cc(CCN1)c23 is R-(-)-actinodaphnine. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O is an amino trisaccharide consisting of two D-galactose residues and an N-acetyl-D-galactosamine residue (at the reducing end) in a linear sequence. It is also related to or classified as galactosamine oligosaccharide , amino trisaccharide .
The molecule N[C@@H](Cc1cncn1P(O)(O)=O)C(O)=O N[C@@H](Cc1cncn1P(O)(O)=O)C(O)=O is A histidine derivative in which L-histidine has been phosphorylated on the pros N atom. It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-histidine derivative .
The molecule CCCCCCCCCCCCCC(CC(=O)[O-])O is a 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxypalmitic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion and a 3-hydroxy fatty acid anion. It derives from a hexadecanoate. It is a conjugate base of a 3-hydroxypalmitic acid.
The molecule C([C@@H](N)CCC)(=O)O C([C@@H](N)CCC)(=O)O is A 2-aminopentanoic acid that has S-configuration. It has the role of hypoglycemic agent . It has the role of neuroprotective agent . It has the role of bacterial metabolite . It is also related to or classified as 2-aminopentanoic acid  .
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)/C=C/CCC(=O)O is an O-acylcarnitine having (2E)-hexenedioyl as the acyl substituent. It has a role as a mouse metabolite. It derives from a carnitine.
The molecule CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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 is A multi-methyl-branched fatty acyl-CoA that is the S-(4,8,12-trimethyltridecanoyl) derivative of coenzyme A. Its functional parent is coenzyme A . It is a conjugate acid of 4,8,12-trimethyltridecanoyl-CoA(4-) .  It is also related to or classified as long-chain fatty acyl-CoA  . It is also related to or classified as 11,12-saturated fatty acyl-CoA  . It is also related to or classified as multi-methyl-branched fatty acyl-CoA .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC is an optically active form of 1,2-distearoylphosphatidylethanolamine having (S)-configuration. It is also related to or classified as 1,2-distearoylphosphatidylethanolamine  .
The molecule [H][C@]12Cc3ccccc3-c3c(OC)c(O)cc(CCN1)c23 [H][C@]12Cc3ccccc3-c3c(OC)c(O)cc(CCN1)c23 is R-(-)-asimilobine. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@H](O)COP(O)(O)=O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\COC[C@H](O)COP(O)(O)=O is A prenylglycerol phosphate that consists of 1-phosphoglycerol having a heptaprenyl group attached at position 3. It is a conjugate acid of 3-heptaprenyl-sn-glycero-1-phosphate(2-) . It is also related to or classified as prenylglycerol phosphate .
The molecule C1=C(C(C=C(C1Cl)Cl)Cl)Cl is a chloroolefin that is cyclohexa-1,4-diene substituted by chloro groups at positions 1, 3, 4 and 6. It is a chloroolefin and a cyclohexadiene. It derives from a hydride of a cyclohexa-1,4-diene.
The molecule CC1=C(C(=NC(=N1)NCCC[C@@H](C(=O)O)N)C)O is a member of the class of hydroxypyrimidines obtained by cyclocondensation of L-arginine and methylglyoxal; a methyl glyoxal-derived advanced glycation end-product (AGE) in familial amyloidotic polyneuropathy and human cancers. It has a role as an epitope. It is a L-arginine derivative, a hydroxypyrimidine and a non-proteinogenic alpha-amino acid.
The molecule C/C=C(\\C)/C1=CC(=C(C(=O)O1)C)O is a member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, hydroxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration. It is a member of nectriapyrones and an organic hydroxy compound.
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])[O-])[C@@H](/C=C/CCCCCCCCCCCCC)O is a ceramide 1-phosphate(2-) in which the N-acyl group is specified as eicosanoyl. It is a conjugate base of a N-icosanoylsphingosine 1-phosphate.
The molecule [H][C@@]12Cc3ccc(OC)c(OC)c3-c3c(O)c(OC)cc(CC[N+]1(C)C)c23 [H][C@@]12Cc3ccc(OC)c(OC)c3-c3c(O)c(OC)cc(CC[N+]1(C)C)c23 is S-(+)-N-methylcorydine. It has the role of metabolite . It is also related to or classified as aporphine alkaloid .
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)\C=C\C[N+](C)(C)C 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)\C=C\C[N+](C)(C)C is an acyl-CoA oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of (E)-4-(trimethylammonio)but-2-enoyl-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA oxoanion .
The molecule CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)N is a tripeptide composed of L-glutamic acid, L-aspartic acid and L-isoleucine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-glutamic acid, a L-aspartic acid and a L-isoleucine.
The molecule C/C(=C\\COP(=O)(O)OP(=O)(O)O)/CO is a prenol phosphate comprising (2E)-4-hydroxy-3-methylbut-2-en-1-ol having an O-diphosphate substituent. It has a role as an epitope, a phosphoantigen and an Escherichia coli metabolite. It is a conjugate acid of a (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate(3-).
The molecule [H]C(C[N+](C)(C)C)=CC(O)=O [H]C(C[N+](C)(C)C)=CC(O)=O is 4-(trimethylammonio)but-2-enoic acid. It is a conjugate acid of 4-(trimethylammonio)but-2-enoate . It is also related to or classified as quaternary ammonium ion  .
The molecule CCCC[C@H](N)C(O)=O CCCC[C@H](N)C(O)=O is A non-proteinogenic L-alpha-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally. It is a conjugate acid of L-2-aminohexanoate . It is also related to or classified as 2-aminohexanoic acid  . It is also related to or classified as non-proteinogenic L-alpha-amino acid .
The molecule [H][C@@]12Cc3cc(OC)c(O)cc3C[N@+]1(C)CCc1cc(OC)c(OC)cc21 [H][C@@]12Cc3cc(OC)c(O)cc3C[N@+]1(C)CCc1cc(OC)c(OC)cc21 is (7S,14S)-(-)-7-Methyl-10-O-demethylxylopinine. It has the role of metabolite . It is also related to or classified as alkaloid  .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is an amino disaccharide consisting of N-acetylgalactosamine having an alpha-D-galactosyl residue at the 3-position. It is also related to or classified as D-Galp-(1->3)-D-GalpNAc  . It is also related to or classified as amino disaccharide .