CHEBI:228653 - PQH

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ChEBI Name PQH
ChEBI ID CHEBI:228653
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H6F3NO2
Net Charge 0
Average Mass 193.125
Monoisotopic Mass 193.03506
InChI InChI=1S/C7H6F3NO2/c1-3-4(6(12)13)2-5(11-3)7(8,9)10/h2,11H,1H3,(H,12,13)
InChIKey FZYQYTJVKWEWQJ-UHFFFAOYSA-N
SMILES FC(F)(F)C=1NC(=C(C1)C(O)=O)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
9944054 ChemSpider
PQH PDBeChem
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