S-Palmitoylcoenzyme A

Palmitoyl Coenzyme A A fatty acid coenzyme derivative which plays a key role in fatty acid oxidation and biosynthesis.

Molecular Formula: C₃₇H₆₆N₇O₁₇P₃S

InChI: InChI=1/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30-,31-,32+,36-/m1/s1/f/h39-40,50-51,53,55H,38H2

InChIKey: InChIKey=MNBKLUUYKPBKDU-MEYRNACJDZ
SMILES: CCCCCCCCCCCCCCCC(=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

CAS number 1763-10-6

Names:
    CHEBI:15525
    Coenzyme A, S-hexadecanoate
    Hexadecanoyl-CoA
    hexadecanoyl-CoA
    Hexadecanoyl-CoA
    palmitoyl coenzyme A
    Palmitoyl coenzyme A
    palmitoyl-CoA
    Palmitoyl-CoA
    palmitoyl-CoA
    Palmitoyl-CoA
    palmitoyl-CoA
    S-Palmitoylcoenzyme A
    1763-10-6
    3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-(2-hexadecanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 644109
    Beilstein =78534
    CAS 1763-10-6 (from NIST)
    ChEBI 15525
    Kegg C00154
    PubChem ID 3454
    PubChem ID 8143238