CHEBI:89857 - Propyl 2-methylpropanoate

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ChEBI Name Propyl 2-methylpropanoate ChEBI ID CHEBI:89857 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 C7H14O2 Net Charge 0 Average Mass 130.185 Monoisotopic Mass 130.09938 InChI InChI=1S/C7H14O2/c1-4-5-9-7(8)6(2)3/h6H,4-5H2,1-3H3 InChIKey AZFUASHXSOTBNU-UHFFFAOYSA-N SMILES CCCOC(C(C)C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing Propyl 2-methylpropanoate (CHEBI:89857) is a carboxylic ester (CHEBI:33308) Synonyms Sources FEMA 2936 HMDB Isobutyric acid N-propyl ester HMDB Isobutyric acid, propyl ester HMDB N-Propyl 2-methylpropanoate HMDB N-Propyl-2-methylpropanoate HMDB Propanoic acid, 2-methyl-, propyl ester HMDB propyl 2-methylpropanoate HMDB Propyl isobutanoate HMDB Propyl isobutyrate HMDB Manual Xref Database HMDB0036209 HMDB View more database links Registry Number Type Source 644-49-5 CAS Registry Number KEGG COMPOUND Citations Types Sources 17314143 PubMed citation Europe PMC 24421258 PubMed citation Europe PMC