anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1 O=C(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H]1CO1 is A homodetic cyclic tetrapeptide constructed from L-phenylalanyl (x2), D-pipecolinyl and L-2-amino-8-oxo-9,10-epoxydecanoyl residues. It has the role of antineoplastic agent . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of fungal metabolite . It is also related to or classified as ketone  .  It is also related to or classified as epoxide  . It is also related to or classified as homodetic cyclic peptide .
The molecule COc1cc2c(CCN[C@]22CS[C@H]3[C@H]4[C@@H]5N(C)[C@@H](Cc6cc(C)c(OC)c(O)c56)[C@H](O)N4[C@@H](COC2=O)c2c4OCOc4c(C)c(OC(C)=O)c32)cc1O COc1cc2c(CCN[C@]22CS[C@H]3[C@H]4[C@@H]5N(C)[C@@H](Cc6cc(C)c(OC)c(O)c56)[C@H](O)N4[C@@H](COC2=O)c2c4OCOc4c(C)c(OC(C)=O)c32)cc1O is A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer. It has the role of alkylating agent . It has the role of antineoplastic agent . It has the role of angiogenesis modulating agent . It has the role of anti-inflammatory agent . It has the role of marine metabolite . It is also related to or classified as organic sulfide  .  It is also related to or classified as lactone  .      It is also related to or classified as acetate ester  .  It is also related to or classified as hemiaminal  . It is also related to or classified as isoquinoline alkaloid , polyphenol , azaspiro compound , bridged compound , oxaspiro compound , organic heteropolycyclic compound , tertiary amino compound .
The molecule Oc1ccc(\C=C\c2cc(O)cc(OS(O)(=O)=O)c2)cc1 Oc1ccc(\C=C\c2cc(O)cc(OS(O)(=O)=O)c2)cc1 is an organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol. It has the role of xenobiotic metabolite . Its functional parent is trans-resveratrol .  It is also related to or classified as stilbenol  . It is also related to or classified as organic sulfate .
The molecule CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC is A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of tetradecan-1-ol. It has the role of fungal xenobiotic metabolite . It has the role of bacterial metabolite . Its functional parent is tetradecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCCCCCCCCC is A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of nonan-1-ol. It has the role of bacterial metabolite . Its functional parent is nonan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule CCCCCCCCCCCCC(=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 CCCCCCCCCCCCC(=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 long-chain fatty acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of tridecanoyl-CoA; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule CCCCCCCCCCCCCC=O CCCCCCCCCCCCCC=O is A long-chain fatty aldehyde that is tetradecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It is found in coriander. It has the role of plant metabolite . It has the role of bacterial metabolite . It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as 2,3-saturated fatty aldehyde  .
The molecule [Ga+3] [Ga+3] is A monoatomic trication derived from gallium.  It is also related to or classified as monoatomic trication  . It is also related to or classified as gallium cation , gallium molecular entity .
The molecule CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC is A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of decan-1-ol. It has the role of bacterial metabolite . Its functional parent is decan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC is A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of stearyl alcohol. It has the role of cosmetic . It has the role of coral metabolite . Its functional parent is octadecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCC is A wax ester resulting from the formal condensation of the carboxy group of heptadecanoic acid with the hydroxy group of palmityl alcohol. Its functional parent is hexadecan-1-ol . Its functional parent is heptadecanoic acid . It is also related to or classified as wax ester  .
The molecule [Na+].[Na+].[Na+].[O-][As]([O-])([O-])=O [Na+].[Na+].[Na+].[O-][As]([O-])([O-])=O is an inorganic sodium salt composed from sodium cations and arsenate anions in a 3:1 ratio. It has the role of nephrotoxic agent . It has the role of poison . It has the role of hepatic steatosis inducing agent . It is also related to or classified as inorganic sodium salt .
The molecule CCCCCCCCCCCCC(=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 CCCCCCCCCCCCC(=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 long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of tridecanoic acid. Its functional parent is tridecanoic acid . It is a conjugate acid of tridecanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . 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  .
The molecule CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC is A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of icosan-1-ol. Its functional parent is icosan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule CCCCCCCCCCCCCCCC(=O)OCCCCCCCC CCCCCCCCCCCCCCCC(=O)OCCCCCCCC is A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of octan-1-ol. It has the role of bacterial metabolite . Its functional parent is octan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as hexadecanoate ester  .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O is A lipid A derivative that consists of a branched octasaccharide phosphate made up from two D-galactose residues, two N-acetyl-D-glucosamine residues, a D-glucose residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A.  Corresponds to the de-O-acylated lipid A conjugate of the core oligosaccharide of Neisseria meningitidis.  It is also related to or classified as dodecanoate ester  . It is also related to or classified as lipid As .
The molecule OCCOC(=O)CCCCC(O)=O OCCOC(=O)CCCCC(O)=O is A dicarboxylic acid monoester obtained by the formal condensation of one of the hydroxy groups of ethylene glycol with one of the carboxy groups of  adipic acid. It has the role of human urinary metabolite . Its functional parent is ethylene glycol . Its functional parent is adipic acid . It is also related to or classified as hydroxy monocarboxylic acid , dicarboxylic acid monoester .
The molecule CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC CCCCCCCCCCCCCCCCOC(=O)CCCCCCC\C=C\CCCCCCCC is A wax ester resulting from the formal condensation of the carboxy group of elaidic acid with the hydroxy group of hexadecan-1-ol. Its functional parent is hexadecan-1-ol . Its functional parent is elaidic acid . It is also related to or classified as wax ester  .
The molecule CCCCCCCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1CC(CNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)NCCN CCCCCCCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N[C@H]1CC(CNC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@H](O)Cc1ccc(O)cc1)NCCN is A member of the family of echinocandins that shows broad-spectrum in vitro activity against Aspergillus and Candida spp. It has the role of antiinfective agent . It is also related to or classified as homodetic cyclic peptide , aromatic ether , echinocandin .
The molecule C\C(\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O C\C(\C=C\C1=C(C)CC(O)CC1(C)C)=C/C=C/C(/C)=C/C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O is A hydroxyretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-hydroxyretinoic acid with beta-glucuronic acid. It is also related to or classified as hydroxyretinoic glucuronide .
The molecule OC(=O)CC(=O)OCc1ccccc1 OC(=O)CC(=O)OCc1ccccc1 is A dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol. It has the role of human urinary metabolite . Its functional parent is benzyl alcohol . Its functional parent is malonic acid . It is also related to or classified as dicarboxylic acid monoester , benzyl ester .
The molecule CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C CC(C)CCCC(C)C(=O)OC(CC([O-])=O)C[N+](C)(C)C is A C9-acylcarnitine in which the acyl group specified is 2,6-dimethylheptanoyl. It has the role of human urinary metabolite . It has the role of human blood serum metabolite . It is also related to or classified as C9-acylcarnitine  . It is also related to or classified as carboxylic ester  . It is also related to or classified as ammonium betaine .
The molecule CCCCCCCCCCCCCCC(C([O-])=O)C(=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 CCCCCCCCCCCCCCC(C([O-])=O)C(=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 2-carboxyacyl CoA(5-) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxypalmitoyl-CoA; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-)  .
The molecule CC(=O)Nc1cc(C)ccc1OC(C)=O CC(=O)Nc1cc(C)ccc1OC(C)=O is an  acetate ester that is phenyl acetate substituted by an acetylamino group at position 2 and a methyl group at position 4. It has the role of human urinary metabolite . It is also related to or classified as phenyl acetates  . It is also related to or classified as acetamides , toluenes .
The molecule CCCCCCCCCCCCCCC(C(O)=O)C(=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 CCCCCCCCCCCCCCC(C(O)=O)C(=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 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-carboxypalmitic acid. It is a conjugate acid of 2-carboxypalmitoyl-CoA(5-) . It is also related to or classified as 2-carboxyacyl-CoA  .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O is A lipid A derivative that consists of a linear tetrasaccharide phosphate comprising an N-acetyl-alpha-D-glucosamine residue,an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->2), (1->3), (1->5) sequence, with the Kdo residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the icsB mutant of the core oligosaccharide of Neisseria meningitidis.  It is also related to or classified as dodecanoate ester  . It is also related to or classified as lipid As .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O is A lipid A derivative that consists of a branched pentasaccharide phosphate made up from a D-glucose residue, an N-acetyl-D-glucosamine residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the galE mutant of the core oligosaccharide of Neisseria meningitidis.  It is also related to or classified as dodecanoate ester  . It is also related to or classified as lipid As .
The molecule CCCCCCCCCCCCC(C(O)=O)C(=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 CCCCCCCCCCCCC(C(O)=O)C(=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 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-carboxymyristic acid. It is a conjugate acid of 2-carboxymyristoyl-CoA(5-) . It is also related to or classified as 2-carboxyacyl-CoA  .
The molecule CCCCCCCCCCC(C([O-])=O)C(=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 CCCCCCCCCCC(C([O-])=O)C(=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 2-carboxyacyl CoA(5-) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxylauroyl-CoA; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-)  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C is an O-octadecadienoyl-L-carnitine where the acyl group specified is linoleyl. It has the role of human metabolite . It has the role of human urinary metabolite . Its functional parent is linoleic acid . It is also related to or classified as O-octadecadienoyl-L-carnitine  .
The molecule CCCCCCCCCCCCC(C([O-])=O)C(=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 CCCCCCCCCCCCC(C([O-])=O)C(=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 2-carboxyacyl CoA(5-) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxymyristoyl-CoA; major species at pH 7.3. It is also related to or classified as 2-carboxyacyl CoA(5-)  .
The molecule COC(=O)\C=C\c1cc(O)ccc1O COC(=O)\C=C\c1cc(O)ccc1O is A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid. It has the role of geroprotector . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of plant metabolite . It has the role of human urinary metabolite . It is also related to or classified as hydroquinones  . It is also related to or classified as methyl ester  . It is also related to or classified as cinnamate ester .
The molecule CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OC[C@H]2O[C@H](OP(O)(=O)OP(O)(=O)OCCN)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](OP(O)(=O)OCCN)[C@@H]4O)[C@@H]3O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@H]1OP(O)(=O)OP(O)(O)=O is A lipid A derivative that consists of a linear trisaccharide phosphate comprising an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->3), (1->5) sequence, with the Kdo residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the icsA mutant of the core oligosaccharide of Neisseria meningitidis.  It is also related to or classified as dodecanoate ester  . It is also related to or classified as tetradecanoate ester  . It is also related to or classified as lipid As .
The molecule Oc1ccc(O)c2c1oc(cc2=O)-c1ccccc1 Oc1ccc(O)c2c1oc(cc2=O)-c1ccccc1 is A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 5 and 8. It has the role of plant metabolite . It is also related to or classified as dihydroxyflavone .
The molecule CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC is A wax ester resulting from the formal condensation of lauric acid with palmityl alcohol. Its functional parent is hexadecan-1-ol . It is also related to or classified as wax ester  . It is also related to or classified as dodecanoate ester  .
The molecule N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(O)=O is A tripeptide composed of L-phenylalanine, L-tyrosine and L-aspartic acid joined by peptide linkages. It has the role of human urinary metabolite . Its functional parent is L-aspartic acid . Its functional parent is L-phenylalanine . Its functional parent is L-tyrosine . It is also related to or classified as tripeptide  .
The molecule CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCCC(O)CC(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-acylcarnitine having 3-hydroxyoctanoyl as the acyl substituent. It has the role of human urinary metabolite . It is also related to or classified as O-acylcarnitine .
The molecule OC(=O)CCCCCOCC(O)=O OC(=O)CCCCCOCC(O)=O is A dicarboxylic acid that is hexanoic acid substituted by a carboxymethoxy group at position 6. It has the role of human urinary metabolite . It is also related to or classified as ether  . It is also related to or classified as dicarboxylic acid .
The molecule CCCCCCCCCCC(C(O)=O)C(=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 CCCCCCCCCCC(C(O)=O)C(=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 2-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 2-carboxylauric acid. It is a conjugate acid of 2-carboxylauroyl-CoA(5-) . It is also related to or classified as 2-carboxyacyl-CoA  .
The molecule CCC1(C(=O)NCNC1=O)c1ccccc1 CCC1(C(=O)NCNC1=O)c1ccccc1 is A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an  anticonvulsant for treatment of various types of seizures. It has the role of anticonvulsant . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as pyrimidone .
The molecule C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 C(N(Cc1ccccc1)c1ccccc1)C1=NCCN1 is A member of the class of imidazolines that is 2-aminomethyl-2-imidazoline in which the exocyclic amino hydrogens are replaced by benzyl and phenyl groups. Antazoline is only found in individuals that have taken the drug. It has the role of xenobiotic . It has the role of H1-receptor antagonist . It has the role of cholinergic antagonist . It is also related to or classified as aromatic amine , tertiary amino compound , imidazolines .