sinapoyl-CoA

Molecular Formula: C₃₂H₄₆N₇O₂₀P₃S

InChI: InChI=1/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t20-,25-,26-,27+,31-/m1/s1/f/h34-35,46-47,49,51H,33H2

InChIKey: InChIKey=RBFUWESMWRUGFY-QLLBRUCADR
SMILES: COc1cc(\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)n3cnc4c(N)ncnc34)cc(OC)c1O

Names:
    CHEBI:15540
    Sinapoyl-CoA
    sinapoyl-CoA
    Sinapoyl-CoA
    sinapoyl-CoA
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl
    [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-[(E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966120
    ChEBI 15540
    Kegg C00411
    PubChem ID 3701
    PubChem ID 8143224