Met007491: Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide

  Metabolite Information

Name
Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide
IUPAC Name
(2S,3R)-3-phosphonooxy-2-[7-(2-sulfoethyldisulfanyl)heptanoylamino]butanoic acid
Molecular Formula
C13H26NO10PS3
Molecular Weight
483.5
Exact Mass
483.0456465
SMILES
CC(C(C(=O)O)NC(=O)CCCCCCSSCCS(=O)(=O)O)OP(=O)(O)O
InChIKey
OBGQLHXSMIBYLN-PWSUYJOCSA-N
InChI
InChI=1S/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
Other Databases Link
PubChem:5460331

  Structure

  2D Structure
  3D Structure

  Classification 

(data sourced from ClassyFire)

Kingdom: Organic compounds
    Superclass: Organic acids and derivatives
        Class: Carboxylic acids and derivatives
            Subclass: Amino acids, peptides, and analogues

  Crops containing this metabolite

lemon

  Metabolite Spectrum Accession Label

LEM00003p