(S)-3-hydroxyoctanoyl-coenzyme A

Molecular Formula: C₂₉H₅₀N₇O₁₈P₃S

InChI: InChI=1/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22+,23+,24-,28+/m0/s1/f/h31-32,43-44,46,48H,30H2

InChIKey: InChIKey=ATVGTMKWKDUCMS-VJKOUTEMDD
SMILES: CCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

Names:
    CHEBI:28632
    (S)-Hydroxyoctanoyl-CoA
    (S)-3-Hydroxycapryloyl-CoA
    (S)-3-Hydroxyoctanoyl-CoA
    (S)-3-hydroxyoctanoyl-CoA
    (S)-3-hydroxyoctanoyl-coenzyme A
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-[(3S)-3-hydroxyoctanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966216
    ChEBI 28632
    Kegg C05266
    Kegg C05277
    PubChem ID 7653
    PubChem ID 8144308