Propenoyl-CoA

Molecular Formula: C₂₄H₃₈N₇O₁₇P₃S

InChI: InChI=1/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13,17-19,23,34-35H,1,5-10H2,2-3H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t13-,17-,18-,19+,23-/m1/s1/f/h26-27,37-38,40,42H,25H2

InChIKey: InChIKey=POODSGUMUCVRTR-PZQBFSIPDB
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

CAS number 5776-58-9

Names:
    Acryloyl-CoA
    acryloyl-CoA
    Acryloyl-CoA
    Acryloyl-coa
    acryloyl-CoA
    Acryloyl-coenzyme A
    Acrylyl-CoA
    Acrylyl-coa
    Coenzyme A, S-2-propenoate
    c0150
    Propenoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-(2-prop-2-enoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 9543026
    Beilstein =78117
    CAS 5776-58-9 (from NIST)
    ChEBI 15513
    Kegg C00894
    PubChem ID 14709053
    PubChem ID 4150
    UM-BBD c0150