CHEBI:15488 - trans-3-methylglutaconyl-CoA

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Formula C27H42N7O19P3S
Net Charge 0
Average Mass 893.64544
Monoisotopic Mass 893.147
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/h8,12-13,15,20-22,26,39-40H,4-7,9-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/b14-8+/t15-,20-,21-,22+,26-/m1/s1
InChIKey ZMMFWDHIXCPOHZ-XRYKKJIBSA-N
SMILES C\C(CC(=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)=C/C(O)=O
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-{[(3E)-4-carboxy-3-methylbut-3-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 KEGG COMPOUND
trans-3-Methylglutaconyl-CoA KEGG COMPOUND
Manual Xref Database
C03231 KEGG COMPOUND
View more database links
Last Modified
27 January 2016