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

ChEBI IDCHEBI:58519
ChEBI Name(E)-2-benzylidenesuccinyl-CoA(5−)
Stars
ASCII Name(E)-2-benzylidenesuccinyl-CoA(5-)
DefinitionPentaanion of (E)-2-benzylidenesuccinyl-CoA.
Last Modified12 November 2014
DownloadsMolfile
FormulaC32H39N7O19P3S
Net Charge-5
Average Mass950.683
Monoisotopic Mass950.12617
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C(=C/c1ccccc1)CC(=O)[O-]
InChIInChI=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
InChIKeyCIZCKPNGZPENDV-RUCZCKOISA-I
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(E)-2-benzylidenesuccinyl-CoA (CHEBI:27639) is conjugate acid of (E)-2-benzylidenesuccinyl-CoA(5−) (CHEBI:58519)
UniProt Name  Source
(E)-2-benzylidenesuccinyl-CoAUniProt