EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:82723 - ovothiol A zwitterion

ChEBI IDCHEBI:82723
ChEBI Nameovothiol A zwitterion
Stars
DefinitionAn L-α-amino acid zwitterion formed from ovothiol A 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
FormulaC7H11N3O2S
Net Charge0
Average Mass201.251
Monoisotopic Mass201.05720
SMILESCn1cnc(S)c1C[C@H]([NH3+])C(=O)[O-]
InChIInChI=1S/C7H11N3O2S/c1-10-3-9-6(13)5(10)2-4(8)7(11)12/h3-4,13H,2,8H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyXWKKYVJREGXHFO-BYPYZUCNSA-N
ChEBI Ontology
Outgoing Relation(s)
ovothiol A zwitterion (CHEBI:82723) has functional parent L-histidine zwitterion (CHEBI:57595)
ovothiol A zwitterion (CHEBI:82723) is a L-α-amino acid zwitterion (CHEBI:59869)
ovothiol A zwitterion (CHEBI:82723) is tautomer of ovothiol A (CHEBI:83318)
Incoming Relation(s)
ovothiol A (CHEBI:83318) is tautomer of ovothiol A zwitterion (CHEBI:82723)
IUPAC Name 
(2S)-2-azaniumyl-3-(1-methyl-4-sulfanyl-1H-imidazol-5-yl)propanoate
Synonym  Source
N1-methyl-4-mercaptohistidineSUBMITTER
UniProt Name  Source
ovothiol AUniProt
Citations