2-(hydroxysulfanyl)hercynine

2-(hydroxysulfanyl)hercynine




Chemical Formula:
C9H15N3O3S
Molecular Weight:
245.296 Daltons
Monoisotopic Mass:
246.09123708549998 Daltons
SMILES:
C[N+](C(C(=O)[O-])CC1(=CNC(SO)=N1))(C)C
InChI:
1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
InChIKey:
ZLPHHLCGSBYNCO-ZETCQYMHSA-N

Synonyms
  • ergothioneine sulfenic acid
  • ergothioneine sulfenate
  • Nα,Nα,Nα-trimethyl-2-sulfeno-L-histidine
  • 2-sulfenohercynine

Databases
MetaCyc:  CPD-19388
ChEBI:  136834
PubChem (CID):  122706275
MetaNetX:  MNXM164157