CHEBI:15497 - trans-4-carboxybut-2-enoyl-CoA

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ChEBI Name trans-4-carboxybut-2-enoyl-CoA
ChEBI ID CHEBI:15497
ChEBI ASCII Name trans-4-carboxybut-2-enoyl-CoA
Definition The S-(trans-4-carboxybut-2-enoyl) derivative of coenzyme A.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5430, CHEBI:11969, CHEBI:14320, CHEBI:24310
Supplier Information
Download Molfile XML SDF
Formula C26H40N7O19P3S
Net Charge 0
Average Mass 879.61886
Monoisotopic Mass 879.13125
InChI InChI=1S/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18)33/h3,5,12-14,19-21,25,38-39H,4,6-11H2,1-2H3,(H,28,34)(H,29,40)(H,35,36)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/b5-3+/t14-,19-,20-,21+,25-/m1/s1
InChIKey URTLOTISFJPPOU-DEGQQWIJSA-N
SMILES 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\CC(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-4-carboxybut-2-enoyl-CoA (CHEBI:15497) has functional parent (E)-glutaconic acid (CHEBI:15670)
trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497) has functional parent coenzyme A (CHEBI:15346)
trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497) has role mouse metabolite (CHEBI:75771)
trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497) is a glutaconyl-CoA (CHEBI:24311)
trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497) is conjugate acid of trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353)
Incoming trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353) is conjugate base of trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497)
IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms Sources
4-Carboxybut-2-enoyl-CoA KEGG COMPOUND
Glutaconyl-1-CoA KEGG COMPOUND
Manual Xrefs Databases
c0227 UM-BBD
C02411 KEGG COMPOUND
View more database links
Last Modified
27 January 2016