CHEBI:89847 - 3-Methylsuberic acid

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ChEBI Name 3-Methylsuberic acid ChEBI ID CHEBI:89847 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H16O4 Net Charge 0 Average Mass 188.221 Monoisotopic Mass 188.10486 InChI InChI=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) InChIKey QIOYMVALOOEDDF-UHFFFAOYSA-N SMILES CC(CCCCC(=O)O)CC(=O)O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed 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 3-Methylsuberic acid (CHEBI:89847) is a branched-chain fatty acid (CHEBI:35819) Synonym Source 3-methyloctanedioic acid HMDB Manual Xref Database HMDB0059783 HMDB View more database links Citation Type Source 2338430 PubMed citation Europe PMC