EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82724 - ovothiol B zwitterion

ChEBI IDCHEBI:82724
ChEBI Nameovothiol B zwitterion
Stars
DefinitionAn L-α-amino acid zwitterion formed from ovothiol B by transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified24 October 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC8H13N3O2S
Net Charge0
Average Mass215.278
Monoisotopic Mass215.07285
SMILESC[NH2+][C@@H](Cc1c(S)ncn1C)C(=O)[O-]
InChIInChI=1S/C8H13N3O2S/c1-9-5(8(12)13)3-6-7(14)10-4-11(6)2/h4-5,9,14H,3H2,1-2H3,(H,12,13)/t5-/m0/s1
InChIKeyVBMIRSPJYVMQOI-YFKPBYRVSA-N
ChEBI Ontology
Outgoing Relation(s)
ovothiol B zwitterion (CHEBI:82724) has functional parent L-histidine zwitterion (CHEBI:57595)
ovothiol B zwitterion (CHEBI:82724) is a L-α-amino acid zwitterion (CHEBI:59869)
ovothiol B zwitterion (CHEBI:82724) is tautomer of ovothiol B (CHEBI:83413)
Incoming Relation(s)
ovothiol B (CHEBI:83413) is tautomer of ovothiol B zwitterion (CHEBI:82724)
IUPAC Name 
(2S)-2-(methylazaniumyl)-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
Citations