EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79070 - hercynylselenocysteine

Default Structure
ChEBI IDCHEBI:79070
ChEBI Namehercynylselenocysteine
Stars
DefinitionA L-histidine derivative which is an intermediate in the synthesis of selenoneine, a compound found in certain fungi and mycobacteria.
Last Modified7 January 2015
SubmitterJane Lomax
DownloadsMolfile
FormulaC12H20N4O4Se
Net Charge0
Average Mass363.276
Monoisotopic Mass364.06498
SMILESC[N+](C)(C)[C@@H](Cc1cnc([Se]C[C@H](N)C(=O)O)n1)C(=O)[O-]
InChIInChI=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
InChIKeyWUKYFFAYSLDGLI-IUCAKERBSA-N
Species of MetaboliteComponentSourceComments
Schizosaccharomyces pombe (ncbitaxon:4896) - PubMed (24828577)
Roles Classification
Biological Role:
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)
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 Relation(s)
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
Citations