EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:83415 - ovothiol C

ChEBI IDCHEBI:83415
ChEBI Nameovothiol C
Stars
DefinitionA L-histidine derivative that is N,N-dimethyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively.
Last Modified7 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC9H15N3O2S
Net Charge0
Average Mass229.305
Monoisotopic Mass229.08850
SMILESCN(C)[C@@H](Cc1c(S)ncn1C)C(=O)O
InChIInChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyONAWDGXCZMVYMN-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Strongylocentrotus purpuratus (ncbitaxon:7668) - PubMed (3651433)
Roles Classification
Chemical Roles:
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
ovothiol C (CHEBI:83415) has role antioxidant (CHEBI:22586)
ovothiol C (CHEBI:83415) has role marine metabolite (CHEBI:76507)
ovothiol C (CHEBI:83415) has role radical scavenger (CHEBI:48578)
ovothiol C (CHEBI:83415) is a L-histidine derivative (CHEBI:84076)
ovothiol C (CHEBI:83415) is a aryl thiol (CHEBI:82711)
ovothiol C (CHEBI:83415) is tautomer of ovothiol C zwitterion (CHEBI:82725)
Incoming Relation(s)
ovothiol C zwitterion (CHEBI:82725) is tautomer of ovothiol C (CHEBI:83415)
IUPAC Name 
N,N,3-trimethyl-5-sulfanyl-L-histidine
Synonyms  Source
1-Methyl-alpha(N), alpha(N)-dimethyl-4-thiohistidineChemIDplus
L-ovothiol CChEBI
Registry NumbersSources
Reaxys:4689691Reaxys
Reaxys:7750792Reaxys
CAS:105496-34-2ChemIDplus
Citations