CoM-S-S-CoB

Molecular Formula: C₁₃H₂₆NO₁₀PS₃

InChI: InChI=1/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)/t10-,12+/m1/s1/f/h14,16,18-19,21H

InChIKey: InChIKey=OBGQLHXSMIBYLN-BUPKSBLZDM
SMILES: CC(C(C(=O)O)NC(=O)CCCCCCSSCCS(=O)(=O)O)OP(=O)(O)O

Names:
    Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide
    Coenzyme M-HTP heterodisulfide
    CoM-S-S-CoB
    C04832
    N-{7-[(2-Sulfoethyl)dithio]heptanoyl
    (2S,3R)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid

Registries:
    PubChem CID 5460331
    PubChem ID 7393