CHEBI:79071 - selenoneine

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ChEBI Name selenoneine
ChEBI ID CHEBI:79071
Definition A histidine derivative that is Nα,Nα,Nα-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jane Lomax
Kristian Axelsen
Secondary ChEBI IDs CHEBI:82733
Supplier Information
Download Molfile XML SDF
Formula C9H15N3O2Se
Net Charge 0
Average Mass 276.19000
Monoisotopic Mass 277.033
InChI InChI=1S/C9H15N3O2Se/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 MTIQLELFQVCRSW-ZETCQYMHSA-N
SMILES C[N+](C)(C)[C@@H](Cc1c[nH][c](=[Se])[nH]1)C([O-])=O
Metabolite of Species Details
Schizosaccharomyces pombe (NCBI:txid4896) See: PubMed
Scombridae gen. sp. (NCBI:txid8233) See: PubMed
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing selenoneine (CHEBI:79071) has role antioxidant (CHEBI:22586)
selenoneine (CHEBI:79071) has role fungal metabolite (CHEBI:76946)
selenoneine (CHEBI:79071) has role marine metabolite (CHEBI:76507)
selenoneine (CHEBI:79071) is a L-histidine derivative (CHEBI:84076)
selenoneine (CHEBI:79071) is a amino-acid betaine (CHEBI:22860)
IUPAC Name
(2S)-3-(2-selenoxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate
Synonyms Sources
2-selenyl-Nα,Nα,Nα-trimethyl-L-histidine SUBMITTER
selenoergothioneine ChEBI
selnoneine thione UniProt
Manual Xref Database
CPD-17041 MetaCyc
View more database links
Registry Numbers Types Sources
15579936 Reaxys Registry Number Reaxys
15579936 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
20388714 PubMed citation Europe PMC
21331438 PubMed citation Europe PMC
21540999 PubMed citation Europe PMC
22129736 PubMed citation Europe PMC
23434904 PubMed citation Europe PMC
23709046 PubMed citation SUBMITTER
24197605 PubMed citation Europe PMC
24828577 PubMed citation SUBMITTER
24828577 PubMed citation SUBMITTER
PMC4117592 PubMed Central citation Europe PMC
Last Modified
10 November 2016