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(E)-2-benzylidenesuccinyl-CoA

MNXM4923 is deprecated and here replaced by MNXM737231
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737231

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₂H₃₉N₇O₁₉P₃S

charge

-5

mass

950.12617

reference

chebi:58519

InChIKey

CIZCKPNGZPENDV-RUCZCKOISA-I

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

SMILES

CC(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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58519 chebi:58519	(E)-2-benzylidenesuccinyl-CoA (E)-2-benzylidenesuccinyl-CoA(5-)
CHEBI:27639 chebi:27639	(E)-2-benzylidenesuccinyl-CoA (E)-2-Benzylidenesuccinyl-CoA (E)-2-benzylidenesuccinyl-coenzyme A (trans)-2-benzylidenesuccinyl-CoA (trans)-2-benzylidenesuccinyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-2-(carboxymethyl)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} E-Phenylitaconyl-CoA
kegg.compound:C09818 keggC:C09818	E-Phenylitaconyl-CoA (E)-2-Benzylidenesuccinyl-CoA
chebi:10948 chebi:21124 chebi:4731 keggC:M_C09818	secondary/obsolete/fantasy identifier