OntologieschebiclassesCHEBI:89479   
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lanthionine ketimine
http://purl.obolibrary.org/obo/CHEBI_89479

A member of the class of 1,4-thiazines that is 3,6-dihydro-2H-1,4-thiazine substituted by carboxy groups at positions 3 and 5. It is a natural but non-proteogenic amino acid found in human urine and brain.

Also appears inslm
Exact Synonyms
3,6-dihydro-2H-1,4-thiazine-3,5-dicarboxylic acid
class Information
charge

0

formula

C6H7NO4S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C6H7NO4S/c8-5(9)3-1-12-2-4(7-3)6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)

inchikey

XIVVIYYWXOMYOD-UHFFFAOYSA-N

in_subset

3_STAR

mass

189.190

monoisotopicmass

189.00958

smiles

OC(=O)C1CSCC(=N1)C(O)=O

class Relations