CHEBI:228744 - 2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid

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ChEBI Name 2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
ChEBI ID CHEBI:228744
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H18O4
Net Charge 0
Average Mass 250.294
Monoisotopic Mass 250.12051
InChI InChI=1S/C14H18O4/c1-8-5-9(2)11(12(15)16)10(6-8)7-14(3,4)13(17)18/h5-6H,7H2,1-4H3,(H,15,16)(H,17,18)
InChIKey AGXDBBWISJYAST-UHFFFAOYSA-N
SMILES OC(=O)C(CC=1C(=C(C=C(C1)C)C)C(O)=O)(C)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 2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid (CHEBI:228744) is a benzenes (CHEBI:22712)
2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid (CHEBI:228744) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name
2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
Manual Xref Database
2081819 ChemSpider
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