glutaconyl-1-CoA

Molecular Formula: C₂₆H₄₀N₇O₁₉P₃S

InChI: InChI=1/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)/b5-3+/t14-,19-,20-,21+,25-/m1/s1/f/h28-29,35,41-42,44,46H,27H2

InChIKey: InChIKey=URTLOTISFJPPOU-JKFROWQPDW
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=C\CC(O)=O

Names:
    CHEBI:15497
    glutaconyl-1-CoA
    Glutaconyl-1-CoA
    glutaconyl-1-CoA
    Glutaconyl-1-CoA
    trans-4-carboxybut-2-enoyl-CoA
    (E)-4-[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]but-3-enoic acid
    3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxybut-2-enoyl]sulfanyl
    4-Carboxybut-2-enoyl-CoA
    4-carboxybut-2-enoyl-CoA
    4-Carboxybut-2-enoyl-CoA

Registries:
    PubChem CID 9543050
    ChEBI 15497
    Kegg C02411
    PubChem ID 5444
    PubChem ID 8143264
    UM-BBD c0227