selenoneine (CHEBI:79071)

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ChEBI Name	selenoneine

ChEBI ID	CHEBI:79071

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.

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

Average Mass

276.19000

Monoisotopic Mass

277.03295

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.

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-N^α,N^α,N^α-trimethyl-L-histidine	SUBMITTER
selenoergothioneine	ChEBI
selenoneine	UniProt

Last Modified

11 August 2023