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CHEBI:228653 - PQH

ChEBI IDCHEBI:228653
ChEBI NamePQH
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H6F3NO2
Net Charge0
Average Mass193.124
Monoisotopic Mass193.03506
SMILESCc1nc(C(F)(F)F)cc1C(=O)O
InChIInChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKeyFZYQYTJVKWEWQJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
PQH (CHEBI:228653) is a carboxylic acid (CHEBI:33575)
PQH (CHEBI:228653) is a pyrroles (CHEBI:26455)
IUPAC Name 
2-methyl-5-(triluoromethyl)-1H-pyrrole-3-carboxylic acid
Manual XrefsDatabases
9944054ChemSpider
PQHPDBeChem