CHEBI:82724 - ovothiol B zwitterion

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name ovothiol B zwitterion ChEBI ID CHEBI:82724 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H13N3O2S Net Charge 0 Average Mass 215.27300 Monoisotopic Mass 215.07285 InChI InChI=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 InChIKey VBMIRSPJYVMQOI-YFKPBYRVSA-N SMILES C[NH2+][C@@H](Cc1c(S)ncn1C)C([O-])=O ChEBI Ontology Outgoing 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 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 Citation Type Source 21247153 PubMed citation SUBMITTER Last Modified 24 October 2014