CHEBI:83415 - ovothiol C

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ChEBI Name ovothiol C
ChEBI ID CHEBI:83415
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0259026, eMolecules:35875953, eMolecules:12800964, ZINC000031155604
Download Molfile XML SDF
Formula C9H15N3O2S
Net Charge 0
Average Mass 229.29900
Monoisotopic Mass 229.08850
InChI InChI=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
InChIKey ONAWDGXCZMVYMN-ZETCQYMHSA-N
SMILES CN(C)[C@@H](Cc1c(S)ncn1C)C(O)=O
Metabolite of Species Details
Strongylocentrotus purpuratus (NCBI:txid7668) See: PubMed
Roles Classification
Chemical Role(s): 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(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 ovothiol C zwitterion (CHEBI:82725) is tautomer of ovothiol C (CHEBI:83415)
IUPAC Name
N,N,3-trimethyl-5-sulfanyl-L-histidine
Synonyms Sources
1-Methyl-alpha(N), alpha(N)-dimethyl-4-thiohistidine ChemIDplus
L-ovothiol C ChEBI
Registry Numbers Types Sources
105496-34-2 CAS Registry Number ChemIDplus
4689691 Reaxys Registry Number Reaxys
7750792 Reaxys Registry Number Reaxys
Citations Types Sources
3187533 PubMed citation Europe PMC
3651433 PubMed citation Europe PMC
7750792 PubMed citation Europe PMC
Last Modified
07 January 2015