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CHEBI:135007 - ciclonicate

Default Structure
ChEBI IDCHEBI:135007
ChEBI Nameciclonicate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC15H21NO2
Net Charge0
Average Mass247.338
Monoisotopic Mass247.15723
SMILESC[C@@H]1C[C@@H](OC(=O)c2cccnc2)CC(C)(C)C1
InChIInChI=1S/C15H21NO2/c1-11-7-13(9-15(2,3)8-11)18-14(17)12-5-4-6-16-10-12/h4-6,10-11,13H,7-9H2,1-3H3/t11-,13-/m1/s1
InChIKeyGQSGZTBDVNUIQS-DGCLKSJQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ciclonicate (CHEBI:135007) is a aromatic carboxylic acid (CHEBI:33859)
ciclonicate (CHEBI:135007) is a pyridines (CHEBI:26421)
Synonym  Source
cyclonicateDrugCentral
Manual XrefsDatabases
3908DrugCentral
Registry NumbersSources
CAS:53449-58-4DrugCentral