CHEBI:57353 - trans-4-carboxybut-2-enoyl-CoA(5−)

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ChEBI Name trans-4-carboxybut-2-enoyl-CoA(5−)
ChEBI ID CHEBI:57353
ChEBI ASCII Name trans-4-carboxybut-2-enoyl-CoA(5-)
Definition Pentaanion of trans-4-carboxybut-2-enoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB42129798, ChemicalBook:CB2742654, eMolecules:475330, Selleckchem:Taurine, ZINC000003809490
Download Molfile XML SDF
Formula C26H35N7O19P3S
Net Charge -5
Average Mass 874.57800
Monoisotopic Mass 874.09487
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)/p-5/b5-3+/t14-,19-,20-,21+,25-/m1/s1
InChIKey URTLOTISFJPPOU-DEGQQWIJSA-I
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
ChEBI Ontology
Outgoing trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353) is a acyl-CoA oxoanion (CHEBI:58946)
trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353) is conjugate base of trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497)
Incoming (S)-3-hydroxyglutaryl-CoA(5−) (CHEBI:177916) has functional parent trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353)
trans-4-carboxybut-2-enoyl-CoA (CHEBI:15497) is conjugate acid of trans-4-carboxybut-2-enoyl-CoA(5−) (CHEBI:57353)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxylatobut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
(2E)-glutaconyl-CoA UniProt
Last Modified
06 June 2019