mycothiol

mycothiol




Chemical Formula:
C17H30N2O12S
Molecular Weight:
486.49 Daltons
Monoisotopic Mass:
486.1519451286 Daltons
SMILES:
CC(=O)NC(CS)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)
InChI:
1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11-,12+,13+,14+,15-,17+/m0/s1
InChIKey:
MQBCDKMPXVYCGO-FQBKTPCVSA-N

Synonyms
  • MSH
  • AcCys-GlcN-Ins
  • 1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-α-D-glucopyranoside
  • 1-D-myo-inosityl-2-(N-acetylcysteinyl)amido-2-deoxy-α-D-glucopyranoside
  • 1-O-[2-(N2-acetyl-L-cysteinamido)-2-deoxy-α-D-glucopyranosyl]-1D-myo-inositol

Databases
MetaCyc:  CPD1G-2
ChEBI:  16768
MetaboLights:  MTBLC16768
ChemSpider:  10193006
PubChem (CID):  441148
KEGG:  C06717
Reactome:  879289
Seed:  cpd04105
MetaNetX:  MNXM590
PupChem (SID):  8940
KNApSAcK:  C00028629
NIKKAJI:  J663.936D