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

ChEBI IDCHEBI:228744
ChEBI Name2-(2-carboxy-2-methylpropyl)-4,6-dimethylbenzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESCc1cc(C)c(C(=O)O)c(CC(C)(C)C(=O)O)c1
InChIInChI=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)
InChIKeyAGXDBBWISJYAST-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)
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 XrefsDatabases
2081819ChemSpider