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
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 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