CHEBI:172098 - Heptyl octanoate

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ChEBI Name Heptyl octanoate
ChEBI ID CHEBI:172098
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H30O2
Net Charge 0
Average Mass 242.403
Monoisotopic Mass 242.22458
InChI InChI=1S/C15H30O2/c1-3-5-7-9-11-13-15(16)17-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey TZXWLJYLYILFGM-UHFFFAOYSA-N
SMILES O(CCCCCCC)C(=O)CCCCCCC
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 Heptyl octanoate (CHEBI:172098) is a fatty acid ester (CHEBI:35748)
IUPAC Name
heptyl octanoate
Manual Xrefs Databases
55278 ChemSpider
HMDB0036218 HMDB
LMFA07010903 LIPID MAPS
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Registry Number Type Source
4265-97-8 CAS Registry Number ChemIDplus