3-Oxohexadecanoyl-CoA

Molecular Formula: C₃₇H₆₄N₇O₁₈P₃S

InChI: InChI=1/C37H64N7O18P3S/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/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1/f/h39-40,51-52,54,56H,38H2

InChIKey: InChIKey=NQMPLXPCRJOSHL-QPDJTDNDDC
SMILES: CCCCCCCCCCCCCC(=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:
    3-Ketopalmitoyl-CoA
    3-Oxohexadecanoyl-CoA
    3-Oxopalmitoyl-CoA
    3-oxopalmitoyl-CoA
    3-Oxopalmitoyl-CoA
    3-oxopalmitoyl-CoA
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-[2-(3-oxohexadecanoylsulfanyl)ethylcarbamoyl]ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 169621
    ChEBI 15491
    Kegg C05259
    PubChem ID 10257062
    PubChem ID 7646