Lauroyl-coenzyme A

Molecular Formula: C33H58N7O17P3S


InChI: InChI=1/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34)37-20-38-30(25)40/h20-22,26-28,32,43-44H,4-19H2,1-3H3,(H,35,41)(H,36,45)(H,49,50)(H,51,52)(H2,34,37,38)(H2,46,47,48)/t22-,26-,27-,28+,32-/m1/s1/f/h35-36,46-47,49,51H,34H2

InChIKey: InChIKey=YMCXGHLSVALICC-UCLVZUQDDZ
SMILES: CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[[email protected]](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[[email protected]]1O[[email protected]]([[email protected]](O)[[email protected]@H]1OP(O)(O)=O)n2cnc3c(N)ncnc23

CAS number 6244-92-4

Names:
    Coenzyme A, S-dodecanoate
    Dodecanoyl-CoA
    dodecanoyl-CoA
    Dodecanoyl-CoA
    Lauroyl coenzyme A
    Lauroyl-CoA
    lauroyl-CoA
    Lauroyl-CoA
    lauroyl-CoA
    Lauroyl-coenzyme A
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-3-[2-(2-dodecanoylsulfanylethylcarbamoyl)ethylcarbamoyl]-3-hydroxy-2,2-dimethyl-propoxy]-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid

Registries:
    PubChem CID 165436
    CAS 6244-92-4 (from NIST)
    ChEBI 15521
    Kegg C01832
    PubChem ID 10255919
    PubChem ID 4951
    UM-BBD c0567