(S)-3-hydroxyhexadecanoyl-coenzyme A

Molecular Formula: C₃₇H₆₆N₇O₁₈P₃S

InChI: InChI=1/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t25-,26+,30+,31+,32-,36+/m0/s1/f/h39-40,51-52,54,56H,38H2

InChIKey: InChIKey=DEHLMTDDPWDRDR-SBKQXRHFDG
SMILES: CCCCCCCCCCCCC[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:27402
    (S)-3-Hydroxyhexadecanoyl-CoA
    (S)-3-hydroxyhexadecanoyl-coenzyme A
    (S)-3-hydroxypalmitoyl-CoA
    (S)-3-hydroxypalmitoyl-coenzyme A
    3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-3-[2-[2-[(3S)-3-hydroxyhexadecanoyl]sulfanylethylcarbamoyl]ethylcarbamoyl]-2,2-dimethyl-propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 11966179
    ChEBI 27402
    Kegg C05258
    PubChem ID 7645
    PubChem ID 8144520