EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82725 - ovothiol C zwitterion

ChEBI IDCHEBI:82725
ChEBI Nameovothiol C zwitterion
Stars
DefinitionAn L-α-amino acid zwitterion formed from ovothiol C 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
FormulaC9H15N3O2S
Net Charge0
Average Mass229.305
Monoisotopic Mass229.08850
SMILESCn1cnc(S)c1C[C@@H](C(=O)[O-])[NH+](C)C
InChIInChI=1S/C9H15N3O2S/c1-11(2)7(9(13)14)4-6-8(15)10-5-12(6)3/h5,7,15H,4H2,1-3H3,(H,13,14)/t7-/m0/s1
InChIKeyONAWDGXCZMVYMN-ZETCQYMHSA-N
ChEBI Ontology
Outgoing Relation(s)
ovothiol C zwitterion (CHEBI:82725) has functional parent L-histidine zwitterion (CHEBI:57595)
ovothiol C zwitterion (CHEBI:82725) is a L-α-amino acid zwitterion (CHEBI:59869)
ovothiol C zwitterion (CHEBI:82725) is tautomer of ovothiol C (CHEBI:83415)
Incoming Relation(s)
ovothiol C (CHEBI:83415) is tautomer of ovothiol C zwitterion (CHEBI:82725)
IUPAC Name 
(2S)-2-(dimethylazaniumyl)-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
Citations