E-Phenylitaconyl-CoA

Molecular Formula: C₃₂H₄₄N₇O₁₉P₃S

InChI: InChI=1/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)/b19-12+/t20-,24-,25-,26+,30-/m1/s1/f/h34-35,41,47-48,50,52H,33H2

InChIKey: InChIKey=CIZCKPNGZPENDV-SYCIMZHJDJ
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)\C(CC(O)=O)=C\c4ccccc4

Names:
    CHEBI:27639
    E-Phenylitaconyl-CoA
    (E)-2-benzylidenesuccinyl-CoA
    (E)-2-Benzylidenesuccinyl-CoA
    (E)-2-benzylidenesuccinyl-CoA
    (E)-2-Benzylidenesuccinyl-CoA
    (E)-2-benzylidenesuccinyl-CoA
    (E)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanylcarbonyl]-4-phenyl-but-3-enoic acid
    3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-2-(carboxymethyl)-3-phenylprop-2-enoyl]sulfanyl

Registries:
    PubChem CID 9543003
    ChEBI 27639
    Kegg C09818
    PubChem ID 12006
    PubChem ID 8145589
    UM-BBD c0342