CHEBI:230547 - pentyl isobutyrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name pentyl isobutyrate
ChEBI ID CHEBI:230547
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C9H18O2
Net Charge 0
Average Mass 158.241
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-4-5-6-7-11-9(10)8(2)3/h8H,4-7H2,1-3H3
InChIKey UYGGIIOLYXRSQY-UHFFFAOYSA-N
SMILES O(CCCCC)C(=O)C(C)C
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in Cheese (NCIT:C178207). See: MetaboLights Study
ChEBI Ontology
Outgoing pentyl isobutyrate (CHEBI:230547) is a carboxylic ester (CHEBI:33308)
IUPAC Name
pentyl 2-methylpropanoate