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2-sulfenohercynine

Go to external page http://purl.obolibrary.org/obo/CHEBI_136834

A L-histidine derivative that is ergothioneine in which the thiol hydrogen has been replaced by a hydroxy group.

Term info

Label

2-sulfenohercynine

Synonyms
  • 2-sulfenohercynine
database cross reference
Subsets

3_STAR

charge

0

formula

C9H15N3O3S

has obo namespace

chebi_ontology

has related synonym

ergothioneine sulfenate

id

CHEBI:136834

inchi

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

mass

245.300

monoisotopicmass

245.08341

smiles

C=1NC(=NC1C[C@@H](C([O-])=O)[N+](C)(C)C)SO