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CHEBI:82705 - hercynylselenocysteine zwitterion

Default Structure
ChEBI IDCHEBI:82705
ChEBI Namehercynylselenocysteine zwitterion
Stars
DefinitionAn L-α-amino acid zwitterion formed from hercynylselenocysteine by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified15 October 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H20N4O4Se
Net Charge0
Average Mass363.276
Monoisotopic Mass364.06498
SMILESC[N+](C)(C)[C@@H](Cc1cnc([Se]C[C@H]([NH3+])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
ChEBI Ontology
Outgoing Relation(s)
hercynylselenocysteine zwitterion (CHEBI:82705) is a L-α-amino acid zwitterion (CHEBI:59869)
hercynylselenocysteine zwitterion (CHEBI:82705) is tautomer of hercynylselenocysteine (CHEBI:79070)
Incoming Relation(s)
hercynylselenocysteine (CHEBI:79070) is tautomer of hercynylselenocysteine zwitterion (CHEBI:82705)
IUPAC Name 
(2R)-2-azaniumyl-3-({4-[(2S)-2-carboxylato-2-(trimethylazaniumyl)ethyl]-1H-imidazol-2-yl}selanyl)propanoate
UniProt Name  Source
hercynylselenocysteineUniProt