hercynylselenocysteine (CHEBI:79070)

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ChEBI Name	hercynylselenocysteine

ChEBI ID	CHEBI:79070

Definition	A L-histidine derivative which is an intermediate in the synthesis of selenoneine, a compound found in certain fungi and mycobacteria.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Jane Lomax

Supplier Information

Download	Molfile XML SDF

Formula

C12H20N4O4Se

Net Charge

Average Mass

363.27000

Monoisotopic Mass

364.06498

InChI

InChI=1S/C12H20N4O4Se/c1-16(2,3)9(11(19)20)4-7-5-14-12(15-7)21-6-8(13)10(17)18/h5,8-9H,4,6,13H2,1-3H3,(H2-,14,15,17,18,19,20)/t8-,9-/m0/s1

InChIKey

WUKYFFAYSLDGLI-IUCAKERBSA-N

SMILES

C[N+](C)(C)[C@@H](Cc1c[nH]c([Se]C[C@H](N)C(O)=O)n1)C([O-])=O

Metabolite of Species	Details
Schizosaccharomyces pombe (NCBI:txid4896)	See: PubMed

Roles Classification
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.

ChEBI Ontology
Outgoing	hercynylselenocysteine (CHEBI:79070) has role fungal metabolite (CHEBI:76946) hercynylselenocysteine (CHEBI:79070) is a L-histidine derivative (CHEBI:84076) hercynylselenocysteine (CHEBI:79070) is a ammonium betaine (CHEBI:35284) hercynylselenocysteine (CHEBI:79070) is a selenoamino acid (CHEBI:26629) hercynylselenocysteine (CHEBI:79070) is tautomer of hercynylselenocysteine zwitterion (CHEBI:82705)

Incoming	hercynylselenocysteine zwitterion (CHEBI:82705) is tautomer of hercynylselenocysteine (CHEBI:79070)

IUPAC Name

(2S)-3-(2-{[(2R)-2-amino-2-carboxyethyl]selanyl}-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate

Citation	Type	Source
24828577	PubMed citation	SUBMITTER

Last Modified

07 January 2015