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CHEBI:89847 - 3-Methylsuberic acid

ChEBI IDCHEBI:89847
ChEBI Name3-Methylsuberic acid
Stars
DownloadsMolfile
FormulaC9H16O4
Net Charge0
Average Mass188.223
Monoisotopic Mass188.10486
SMILESCC(CCCCC(=O)O)CC(=O)O
InChIInChI=1S/C9H16O4/c1-7(6-9(12)13)4-2-3-5-8(10)11/h7H,2-6H2,1H3,(H,10,11)(H,12,13)
InChIKeyQIOYMVALOOEDDF-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)
3-Methylsuberic acid (CHEBI:89847) is a branched-chain fatty acid (CHEBI:35819)
Synonym  Source
3-methyloctanedioic acidHMDB
Manual XrefsDatabases
HMDB0059783HMDB
Citations