Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ergothioneine
RN: 497-30-3
UNII: BDZ3DQM98W
InChIKey: SSISHJJTAXXQAX-ZETCQYMHSA-N

Note

  • A naturally occurring metabolite of HISTIDINE that has antioxidant properties.

Classification Codes

  • Antioxidants
  • Protective Agents

Molecular Formula

  • C9-H15-N3-O2-S

Molecular Weight

  • 229.3025
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Ergothioneine

MeSH Heading

  • Ergothioneine

Synonyms

  • AI3-23492
  • EINECS 207-843-5
  • Ergothioneine
  • Ergothionine
  • L-Ergothioneine
  • l-Thioneine
  • NSC 7175
  • Sympectothion
  • Thiolhistidine-betaine
  • UNII-BDZ3DQM98W

Systematic Names

  • (S)-(1-Carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethylammonium hydroxide
  • 1H-Imidazole-4-ethanaminium, alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, (S)- (9CI)
  • 1H-Imidazole-4-ethanaminium, alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (alphaS)-
  • 1H-Imidazole-4-ethanaminium, alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, inner salt, (S)-
  • 1H-Imidazole-4-ethaniminium, alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-, hydroxide, inner salt, (S)-
  • Ammonium, (1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethyl-, hydroxide, inner salt, L-(+)- (8CI)

Registry Numbers

CAS Registry Number

  • 497-30-3

FDA UNII

  • BDZ3DQM98W

System Generated Number

  • 0000497303

Structure Descriptors

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

SSISHJJTAXXQAX-ZETCQYMHSA-N

Smiles

C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]