CHEBI:171819 - 2-Octenyl butyrate

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ChEBI Name 2-Octenyl butyrate
ChEBI ID CHEBI:171819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H22O2
Net Charge 0
Average Mass 198.306
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-3-5-6-7-8-9-11-14-12(13)10-4-2/h8-9H,3-7,10-11H2,1-2H3/b9-8-
InChIKey GPINUUWEKPNDBB-HJWRWDBZSA-N
SMILES O(C/C=C\CCCCC)C(=O)CCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Octenyl butyrate (CHEBI:171819) is a carboxylic ester (CHEBI:33308)
IUPAC Name
[(Z)-oct-2-enyl] butanoate
Manual Xrefs Databases
30777232 ChemSpider
HMDB0038081 HMDB
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