CHEBI:171749 - 2-Propenyl 2-ethylbutanoate

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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 2-Propenyl 2-ethylbutanoate
ChEBI ID CHEBI:171749
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16O2
Net Charge 0
Average Mass 156.225
Monoisotopic Mass 156.11503
InChI InChI=1S/C9H16O2/c1-4-7-11-9(10)8(5-2)6-3/h4,8H,1,5-7H2,2-3H3
InChIKey NBKXNUWCFMZFMM-UHFFFAOYSA-N
SMILES O(C(=O)C(CC)CC)CC=C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 2-Propenyl 2-ethylbutanoate (CHEBI:171749) is a fatty acid ester (CHEBI:35748)
IUPAC Name
prop-2-enyl 2-ethylbutanoate
Manual Xrefs Databases
55337 ChemSpider
HMDB0036208 HMDB
LMFA07010741 LIPID MAPS
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Registry Number Type Source
7493-69-8 CAS Registry Number ChemIDplus