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CHEBI:89933 - 2,4-Dimethyladipic acid

Default Structure
ChEBI IDCHEBI:89933
ChEBI Name2,4-Dimethyladipic acid
Stars
DownloadsMolfile
FormulaC8H14O4
Net Charge0
Average Mass174.196
Monoisotopic Mass174.08921
SMILESCC(CC(=O)O)CC(C)C(=O)O
InChIInChI=1S/C8H14O4/c1-5(4-7(9)10)3-6(2)8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyOEEUPULXQBRPEO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (2338430)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2,4-Dimethyladipic acid (CHEBI:89933) is a branched-chain fatty acid (CHEBI:35819)
Synonym  Source
2,4-dimethylhexanedioic acidHMDB
Manual XrefsDatabases
HMDB0059727HMDB
Citations