CHEBI:89870 - Octyl 2-methylbutyrate

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ChEBI Name Octyl 2-methylbutyrate ChEBI ID CHEBI:89870 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 C13H26O2 Net Charge 0 Average Mass 214.345 Monoisotopic Mass 214.19328 InChI InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h12H,4-11H2,1-3H3 InChIKey BCOJVEMHTBSAOE-UHFFFAOYSA-N SMILES CCCCCCCCOC(C(C)CC)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing Octyl 2-methylbutyrate (CHEBI:89870) is a carboxylic ester (CHEBI:33308) Synonyms Sources Butanoic acid, 2-methyl-, octyl ester HMDB Butyric acid, 2-methyl-, octyl ester HMDB FEMA 3604 HMDB N-Octyl 2-methyl butyrate HMDB N-Octyl 2-methylbutanoate HMDB Octyl 2-methyl butyrate HMDB octyl 2-methylbutanoate HMDB Octyl 2-methylbutanoate HMDB Manual Xrefs Databases C00030881 KNApSAcK HMDB0036219 HMDB View more database links Registry Number Type Source 29811-50-5 CAS Registry Number KEGG COMPOUND Citation Type Source 24657864 PubMed citation Europe PMC