CHEBI:89718 - Isopropyl butyrate

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ChEBI Name Isopropyl butyrate ChEBI ID CHEBI:89718 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/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3 InChIKey FFOPEPMHKILNIT-UHFFFAOYSA-N SMILES CCCC(=O)OC(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing Isopropyl butyrate (CHEBI:89718) is a fatty acid ester (CHEBI:35748) Isopropyl butyrate (CHEBI:89718) is a isopropyl ester (CHEBI:35725) Synonyms Sources 1-Methylethyl butanoate HMDB 2-Propyl butanoate HMDB Butanoic acid, 1-methylethyl ester HMDB Butanoic acid, 2-methylethyl ester HMDB Butyric acid, isopropyl ester HMDB FEMA 2935 HMDB Isopropyl butanoate HMDB Isopropyl butyrate [UN2405] [Flammable liquid] HMDB Isopropyl N-butyrate HMDB N-Butyric acid isopropyl ester HMDB N-C3H7C(O)OCH(CH3)2 HMDB propan-2-yl butanoate HMDB Manual Xref Database HMDB0039619 HMDB View more database links Registry Number Type Source 638-11-9 CAS Registry Number KEGG COMPOUND Citation Type Source 23454028 PubMed citation Europe PMC Last Modified 09 March 2018