CHEBI:190735 - Arbaclofen

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Arbaclofen
ChEBI ID CHEBI:190735
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C10H12ClNO2
Net Charge 0
Average Mass 213.660
Monoisotopic Mass 213.05566
InChI InChI=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
InChIKey KPYSYYIEGFHWSV-QMMMGPOBSA-N
SMILES ClC1=CC=C([C@@H](CC(O)=O)CN)C=C1
Metabolite of Species Details
Oreochromis niloticus (NCBI:txid8128) Found in serum (BTO:0001239). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
2C0 PDBeChem
40580 ChemSpider
C21605 KEGG COMPOUND
D09791 KEGG DRUG
DB08891 KEGG DRUG
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Registry Number Type Source
69308-37-8 CAS Registry Number ChemIDplus