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CHEBI:187893 - baclofen zwitterion

ChEBI IDCHEBI:187893
ChEBI Namebaclofen zwitterion
Stars
DefinitionAn amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of baclofen.
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC10H12ClNO2
Net Charge0
Average Mass213.664
Monoisotopic Mass213.05566
SMILES[NH3+]CC(CC(=O)[O-])c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)
InChIKeyKPYSYYIEGFHWSV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
baclofen zwitterion (CHEBI:187893) is a amino-acid zwitterion (CHEBI:35238)
baclofen zwitterion (CHEBI:187893) is tautomer of baclofen (CHEBI:2972)
Incoming Relation(s)
baclofen (CHEBI:2972) is tautomer of baclofen zwitterion (CHEBI:187893)
UniProt Name  Source
baclofenUniProt