CHEBI:58519 - (E)-2-benzylidenesuccinyl-CoA(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-2-benzylidenesuccinyl-CoA(5−)
ChEBI ID CHEBI:58519
ChEBI ASCII Name (E)-2-benzylidenesuccinyl-CoA(5-)
Definition Pentaanion of (E)-2-benzylidenesuccinyl-CoA.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H39N7O19P3S
Net Charge -5
Average Mass 950.67400
Monoisotopic Mass 950.12617
InChI InChI=1S/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23-27(33)36-16-37-28(23)39/h3-7,12,16-17,20,24-26,30,43-44H,8-11,13-15H2,1-2H3,(H,34,40)(H,35,45)(H,41,42)(H,50,51)(H,52,53)(H2,33,36,37)(H2,47,48,49)/p-5/b19-12+/t20-,24-,25-,26+,30-/m1/s1
InChIKey CIZCKPNGZPENDV-RUCZCKOISA-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(\CC([O-])=O)=C\c1ccccc1
ChEBI Ontology
Outgoing (E)-2-benzylidenesuccinyl-CoA(5−) (CHEBI:58519) is a acyl-CoA oxoanion (CHEBI:58946)
(E)-2-benzylidenesuccinyl-CoA(5−) (CHEBI:58519) is conjugate base of (E)-2-benzylidenesuccinyl-CoA (CHEBI:27639)
Incoming (E)-2-benzylidenesuccinyl-CoA (CHEBI:27639) is conjugate acid of (E)-2-benzylidenesuccinyl-CoA(5−) (CHEBI:58519)
Synonym Source
(E)-2-benzylidenesuccinyl-CoA UniProt
Last Modified
12 November 2014