coenzyme-A

Molecular Formula: C₂₁H₃₆N₇O₁₆P₃S

InChI: InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1/f/h23-24,33-34,36,38H,22H2

InChIKey: InChIKey=RGJOEKWQDUBAIZ-AUAMJRQIDD
SMILES: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCS

CAS number 85-61-0

Names:
    CoA
    CoA-SH
    CoA
    CoASH
    CoA-SH
    Coenzyme A
    COENZYME A
    coenzyme A
    coenzyme-A
    3'-phosphoadenosine-(5')diphospho(4')pantatheine
    [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[hydroxy-[hydroxy-[(3R)-3-hydroxy-2,2-dimethyl-3-[2-(2-sulfanylethylcarbamoyl)ethylcarbamoyl]propoxy]phosphoryl]oxy-phosphoryl]oxymethyl]oxolan-3-yl]oxyphosphonic acid
    [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-

Registries:
    PubChem CID 87642
    Beilstein =77809
    CAS 85-61-0 (from NIST)
    ChEBI 15346
    chemPDB COA
    Kegg C00010
    PubChem ID 10222537
    PubChem ID 3312