CHEBI:171833 - Cyclohexyl 3-methylbutanoate

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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 Cyclohexyl 3-methylbutanoate
ChEBI ID CHEBI:171833
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C11H20O2
Net Charge 0
Average Mass 184.279
Monoisotopic Mass 184.14633
InChI InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKey SQPOKBBCNZIWFI-UHFFFAOYSA-N
SMILES O(C1CCCCC1)C(=O)CC(C)C
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 Cyclohexyl 3-methylbutanoate (CHEBI:171833) is a fatty acid ester (CHEBI:35748)
IUPAC Name
cyclohexyl 3-methylbutanoate
Manual Xrefs Databases
253449 ChemSpider
HMDB0034428 HMDB
LMFA07010823 LIPID MAPS
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Registry Number Type Source
7774-44-9 CAS Registry Number ChemIDplus