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CHEBI:83413 - ovothiol B

ChEBI IDCHEBI:83413
ChEBI Nameovothiol B
Stars
DefinitionA L-histidine derivative that is N-methyl-L-histidine substituted at positions N3 and C5 on the imidazole ring by methyl and mercapto groups respectively.
Last Modified7 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC8H13N3O2S
Net Charge0
Average Mass215.278
Monoisotopic Mass215.07285
SMILESCN[C@@H](Cc1c(S)ncn1C)C(=O)O
InChIInChI=1S/C8H13N3O2S/c1-9-5(8(12)13)3-6-7(14)10-4-11(6)2/h4-5,9,14H,3H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyVBMIRSPJYVMQOI-YFKPBYRVSA-N
Species of MetaboliteComponentSourceComments
Chlamys hastata (ncbitaxon:50342) - PubMed (3651433)
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
radical scavenger  A role played by a substance that can react readily with, and thereby eliminate, radicals.
Biological Role:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
ovothiol B (CHEBI:83413) has role antioxidant (CHEBI:22586)
ovothiol B (CHEBI:83413) has role marine metabolite (CHEBI:76507)
ovothiol B (CHEBI:83413) has role radical scavenger (CHEBI:48578)
ovothiol B (CHEBI:83413) is a L-histidine derivative (CHEBI:84076)
ovothiol B (CHEBI:83413) is a aryl thiol (CHEBI:82711)
ovothiol B (CHEBI:83413) is tautomer of ovothiol B zwitterion (CHEBI:82724)
Incoming Relation(s)
ovothiol B zwitterion (CHEBI:82724) is tautomer of ovothiol B (CHEBI:83413)
IUPAC Name 
N,3-dimethyl-5-sulfanyl-L-histidine
Synonym  Source
L-ovothiol BChEBI
Citations