CHEBI:170090 - Citronellyl hexanoate

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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 Citronellyl hexanoate
ChEBI ID CHEBI:170090
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H30O2
Net Charge 0
Average Mass 254.414
Monoisotopic Mass 254.22458
InChI InChI=1S/C16H30O2/c1-5-6-7-11-16(17)18-13-12-15(4)10-8-9-14(2)3/h9,15H,5-8,10-13H2,1-4H3
InChIKey KNYRCCKTQMBSFP-UHFFFAOYSA-N
SMILES O(CCC(CCC=C(C)C)C)C(=O)CCCCC
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Citronellyl hexanoate (CHEBI:170090) is a carboxylic ester (CHEBI:33308)
IUPAC Name
3,7-dimethyloct-6-enyl hexanoate
Manual Xrefs Databases
102474 ChemSpider
HMDB0038958 HMDB
LMFA07010816 LIPID MAPS
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Registry Number Type Source
10580-25-3 CAS Registry Number ChemIDplus