CHEBI:217190 - Isobutyl pentanoate

ChEBI IDCHEBI:217190
ChEBI NameIsobutyl pentanoate
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SubmitterMetaboLights
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FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCC(=O)OCC(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-9(10)11-7-8(2)3/h8H,4-7H2,1-3H3
InChIKeyADNADZOSMJDVIS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus clavatus NRRL 1 (ncbitaxon:344612) - PubMed (29765471)
ChEBI Ontology
Outgoing Relation(s)
Isobutyl pentanoate (CHEBI:217190) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2-methylpropyl pentanoate
Manual XrefsDatabases
59734ChemSpider
D95777KEGG DRUG