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CHEBI:167763 - Pha-543613

Default Structure
ChEBI IDCHEBI:167763
ChEBI NamePha-543613
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17N3O2
Net Charge0
Average Mass271.320
Monoisotopic Mass271.13208
SMILESO=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1
InChIInChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
InChIKeyIPKZCLGGYKRDES-ZDUSSCGKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Pha-543613 (CHEBI:167763) is a aromatic carboxylic acid (CHEBI:33859)
Pha-543613 (CHEBI:167763) is a organic molecular entity (CHEBI:50860)
Pha-543613 (CHEBI:167763) is a organothiophosphorus compound (CHEBI:25716)
Pha-543613 (CHEBI:167763) is a phosphoramide (CHEBI:17102)
Pha-543613 (CHEBI:167763) is a pyridinemonocarboxylic acid (CHEBI:26420)
IUPAC Name 
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]uro[2,3-c]pyridine-5-carboxamide
Synonyms  Source
J3.179.420JChEMBL
Pha-00543613ChEMBL
Pha-543613ChEMBL
PHA-543,613ChEMBL
Manual XrefsDatabases
8105752ChemSpider
Registry NumbersSources
CAS:478149-53-0ChemIDplus
Citations