stearyl-CoA

[1. The coenzyme A thioester of stearic acid; precursor to oleic acid and, in the brain, the C22 and C24 fatty acids present in sphingomyelins; in the brain, use of stearyl-CoA increases during myelination.

Molecular Formula: C₃₉H₇₀N₇O₁₇P₃S

InChI: InChI=1/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h26-28,32-34,38,49-50H,4-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/f/h41-42,52-53,55,57H,40H2

InChIKey: InChIKey=SIARJEKBADXQJG-YLCHTQKNCJ
SMILES: CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Names:
    stearoyl-CoA
    stearyl coenzyme A
    stearyl-CoA
    362-66-3
    [5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[3-hydroxy-2,2-dimethyl-3-[2-(2-octadecanoylsulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 1106
    PubChem ID 3185