S-formylmycothiol

Chemical Formula:

C₁₈H₃₀N₂O₁₃S

Molecular Weight:

514.501 Daltons

Monoisotopic Mass:

514.1468597507001 Daltons

SMILES:

CC(=O)NC(CSC=O)C(=O)NC2(C(OC1(C(O)C(O)C(O)C(O)C(O)1))OC(C(C2O)O)CO)

InChI:

1S/C18H30N2O13S/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/h4,6-16,18,21,24-30H,2-3H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16-,18+/m0/s1

InChIKey:

JFPVMCRFDBEEHF-QFVXKRNMSA-N

Synonyms

MSCH2OH

Databases

MetaCyc: CPD1G-121

ChemSpider: 10128185

ChEBI: 15735

PubChem (CID): 11953886

KEGG: C06718

RefMet: S-Formylmycothiol

Reactome: 879271

Seed: cpd04106

MetaNetX: MNXM1854