CHEBI:15488 - trans-3-methylglutaconyl-CoA

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ChEBI Name trans-3-methylglutaconyl-CoA ChEBI ID CHEBI:15488 ChEBI ASCII Name trans-3-methylglutaconyl-CoA Definition The S-(trans-3-methylglutaconyl) derivative of coenzyme A. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:11860, CHEBI:1603, CHEBI:12863, CHEBI:20132 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C27H42N7O19P3S Net Charge 0 Average Mass 893.640 Monoisotopic Mass 893.14690 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)/b14-9+/t15-,20-,21-,22+,26-/m1/s1 InChIKey GXKSHRDAHFLWPN-RKYLSHMCSA-N 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 Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Roles Classification Chemical Role(s): acyl donor Any donor that can transfer acyl groups between molecular entities. (via acyl-CoA ) Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing trans-3-methylglutaconyl-CoA (CHEBI:15488) has functional parent (E)-3-methylglutaconic acid (CHEBI:37245) trans-3-methylglutaconyl-CoA (CHEBI:15488) has functional parent coenzyme A (CHEBI:15346) trans-3-methylglutaconyl-CoA (CHEBI:15488) has role mouse metabolite (CHEBI:75771) trans-3-methylglutaconyl-CoA (CHEBI:15488) is a glutaconyl-CoA (CHEBI:24311) trans-3-methylglutaconyl-CoA (CHEBI:15488) is conjugate acid of trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) Incoming trans-3-methylglutaconyl-CoA(5−) (CHEBI:57346) is conjugate base of trans-3-methylglutaconyl-CoA (CHEBI:15488) IUPAC Name 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxy-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} Synonyms Sources (E)-3-methylglutaconyl-1-CoA KEGG COMPOUND 3-methylglutaconyl CoA ChEBI 3-Methylglutaconyl-CoA KEGG COMPOUND S-3-methylglutaconyl-coenzyme A ChEBI trans-3-Methylglutaconyl-CoA KEGG COMPOUND trans-3-methylglutaconyl-coenzyme A HMDB Manual Xrefs Databases 3-Methylglutaconyl-CoA Wikipedia C03231 KEGG COMPOUND FDB022396 FooDB HMDB0001057 HMDB LMFA07050388 LIPID MAPS View more database links Registry Number Type Source 6247-73-0 CAS Registry Number HMDB Citations Types Sources 10896289 PubMed citation Europe PMC 15192029 PubMed citation Europe PMC 16482430 PubMed citation Europe PMC 16640564 PubMed citation Europe PMC 23225771 PubMed citation Europe PMC 27271456 PubMed citation Europe PMC 29742810 PubMed citation Europe PMC 3071703 PubMed citation Europe PMC 32431008 PubMed citation Europe PMC 32914510 PubMed citation Europe PMC 33280817 PubMed citation Europe PMC 3841150 PubMed citation Europe PMC Last Modified 13 August 2021