ergothioneine (thione form)
Chemical Formula:
C9H15N3O2S
Molecular Weight:
229.296 Daltons
Monoisotopic Mass:
230.09632246339999 Daltons
SMILES:
C[N+](C(C(=O)[O-])CC1(=CNC(=S)N1))(C)C
InChI:
1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
InChIKey:
Databases
MetaCyc:
Ergothioneine-Thione
RefMet:
Ergothioneine
MetaNetX:
MNXM723056