selenoneine (CHEBI:79071)

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CHEBI:79071 - selenoneine

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ChEBI ID	CHEBI:79071
ChEBI Name	selenoneine
Stars
Definition	A histidine derivative that is N^α,N^α,N^α-trimethyl-L-histidine substituted by a selenoxo group at position 2 on the imidazole ring. A selenium-containing antioxidant found in tuna blood.
Secondary ChEBI ID	CHEBI:82733
Last Modified	11 August 2023
Submitter	Jane Lomax, Kristian Axelsen
Downloads	Molfile

Formula	C9H15N3O2Se
Net Charge	0
Average Mass	276.198
Monoisotopic Mass	277.03295
SMILES	C[N+](C)(C)[C@@H](Cc1cnc(=[Se])n1)C(=O)[O-]
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

Species of Metabolite	Component	Source	Comments
Schizosaccharomyces pombe (ncbitaxon:4896)	-	PubMed (24828577)
Scombridae gen. sp. (ncbitaxon:8233)	-	PubMed (20388714)

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
2-selenyl-N^α,N^α,N^α-trimethyl-L-histidine	SUBMITTER
selenoergothioneine	ChEBI

UniProt Name	Source
selenoneine	UniProt

Manual Xrefs	Databases
CPD-17041	MetaCyc

Registry Numbers	Sources
Reaxys:15579936	Reaxys
Reaxys:15579936	Reaxys

Citations