CHEBI:57346 - trans-3-methylglutaconyl-CoA(5−)

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ChEBI Name trans-3-methylglutaconyl-CoA(5−) ChEBI ID CHEBI:57346 ChEBI ASCII Name trans-3-methylglutaconyl-CoA(5-) Definition Pentaanion of trans-3-methylglutaconyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H37N7O19P3S Net Charge -5 Average Mass 888.610 Monoisotopic Mass 888.11052 InChI InChI=1S/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-15-21(52-54(42,43)44)20(39)26(51-15)34-13-33-19-23(28)31-12-32-24(19)34/h9,12-13,15,20-22,26,39-40H,4-8,10-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/p-5/b14-9+/t15-,20-,21-,22+,26-/m1/s1 InChIKey GXKSHRDAHFLWPN-RKYLSHMCSA-I SMILES C\C(CC([O-])=O)=C/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)N1C=NC2=C1N=CN=C2N Metabolite of Species Details Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) has role human metabolite (CHEBI:77746) trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) is a ω-carboxy-(fatty acyl)-CoA(5−) (CHEBI:177898) trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) is a acyl-CoA oxoanion (CHEBI:58946) trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) is conjugate base of trans-3-methylglutaconyl-CoA (CHEBI:15488) Incoming trans-3-methylglutaconyl-CoA (CHEBI:15488) is conjugate acid of trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) IUPAC Name 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylato-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} Synonyms Sources (E)-3-methylglutaconyl-1-CoA(5−) ChEBI 3-methyl-(2E)-glutaconyl-CoA UniProt trans-3-methylglutaconyl-coenzyme A(5−) ChEBI Manual Xref Database TRANS-3-METHYL-GLUTACONYL-COA MetaCyc View more database links Last Modified 18 August 2021