CHEBI:89827 - Isopropyl propionate

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ChEBI Name Isopropyl propionate
ChEBI ID CHEBI:89827
Stars This entity has been manually annotated by a third party.
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Formulae C6H12O2
C6H12O2
Net Charge 0
Average Mass 116.159
Monoisotopic Mass 116.08373
InChI InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKey IJMWOMHMDSDKGK-UHFFFAOYSA-N
SMILES O(C(CC)=O)C(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
ChEBI Ontology
Outgoing Isopropyl propionate (CHEBI:89827) has functional parent propionic acid (CHEBI:30768)
Isopropyl propionate (CHEBI:89827) is a isopropyl ester (CHEBI:35725)
Synonyms Sources
1-Methylethyl propanoate HMDB
C2H5C(O)OCH(CH3)2 HMDB
FEMA 2959 HMDB
Iso-propyl N-propionate HMDB
Iso-propyl propanoate HMDB
Isopropyl ester of propanoic acid HMDB
Isopropyl propanoate HMDB
Isopropyl propionate [UN2409] [Flammable liquid] HMDB
propan-2-yl propanoate HMDB
Propanoic acid, 1-methylethyl ester HMDB
Propionic acid isopropyl ester HMDB
Propionic acid, isopropyl ester HMDB
Manual Xref Database
HMDB0030056 HMDB
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Registry Number Type Source
637-78-5 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
23454028 PubMed citation Europe PMC
Last Modified
09 March 2018