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CHEBI:177397 - Atagabalin

ChEBI IDCHEBI:177397
ChEBI NameAtagabalin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H19NO2
Net Charge0
Average Mass185.267
Monoisotopic Mass185.14158
SMILESC[C@H]1CC(CN)(CC(=O)O)C[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
InChIKeyIUVMAUQEZFTTFB-YUMQZZPRSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Atagabalin (CHEBI:177397) has functional parent γ-amino acid (CHEBI:33707)
Atagabalin (CHEBI:177397) is a organonitrogen compound (CHEBI:35352)
Atagabalin (CHEBI:177397) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(3S,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid
Manual XrefsDatabases
7970252ChemSpider
D09581KEGG DRUG
DB12032DrugBank
Registry NumbersSources
CAS:223445-75-8ChemIDplus