S-(hydroxymethyl)mycothiol

<i>S</i>-(hydroxymethyl)mycothiol




Chemical Formula:
C18H32N2O13S
Molecular Weight:
516.516 Daltons
Monoisotopic Mass:
516.1625098149 Daltons
SMILES:
CC(=O)NC(CSCO)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)
InChI:
1S/C18H32N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h6-16,18,21-22,24-30H,2-4H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16-,18+/m0/s1
InChIKey:
QHDGYCVBKYWETJ-QFVXKRNMSA-N

Databases
MetaCyc:  S-HYDROXYMETHYLMYCOTHIOL
ChEBI:  61586
PubChem (CID):  49787034
KEGG:  C18235
Seed:  cpd19501
MetaNetX:  MNXM2726