4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA

Molecular Formula: C₃₁H₄₆N₇O₂₀P₃S

InChI: InChI=1/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23-27(32)35-14-36-28(23)38/h4-5,10,14-15,18,20,24-26,30,39-40,43-44H,6-9,11-13H2,1-3H3,(H,33,41)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/t18?,20-,24-,25-,26+,30-/m1/s1/f/h33-34,46-47,49,51H,32H2

InChIKey: InChIKey=SDNPOBCYTJKZSD-ZHKDIKDHDJ
SMILES: COc1cc(ccc1O)C(O)CC(=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

Names:
    CHEBI:17068
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl]sulfanyl
    3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA
    3-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propionyl-CoA
    4-Hydroxy-3-methoxyphenyl-beta-hydroxypropionyl-CoA
    4-hydroxy-3-methoxyphenyl-β-hydroxypropionyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-[3-hydroxy-3-(4-hydroxy-3-methoxy-phenyl)propanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966199
    ChEBI 17068
    Kegg C07303
    PubChem ID 17425078
    PubChem ID 9511