EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:190735 - Arbaclofen

ChEBI IDCHEBI:190735
ChEBI NameArbaclofen
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12ClNO2
Net Charge0
Average Mass213.664
Monoisotopic Mass213.05566
SMILESNC[C@H](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)/t8-/m0/s1
InChIKeyKPYSYYIEGFHWSV-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Oreochromis niloticus (ncbitaxon:8128) serum (BTO:0001239) MetaboLights (MTBLS4262)
ChEBI Ontology
Outgoing Relation(s)
Arbaclofen (CHEBI:190735) has functional parent γ-amino acid (CHEBI:33707)
Arbaclofen (CHEBI:190735) is a organonitrogen compound (CHEBI:35352)
Arbaclofen (CHEBI:190735) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R)-4-amino-3-(4-chlorophenyl)butanoic acid
Manual XrefsDatabases
2C0PDBeChem
40580ChemSpider
C21605KEGG COMPOUND
D09791KEGG DRUG
DB08891DrugBank
Registry NumbersSources
CAS:69308-37-8ChemIDplus