CHEBI:172100 - Octyl heptanoate

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ChEBI Name Octyl heptanoate
ChEBI ID CHEBI:172100
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C15H30O2
Net Charge 0
Average Mass 242.403
Monoisotopic Mass 242.22458
InChI InChI=1S/C15H30O2/c1-3-5-7-9-10-12-14-17-15(16)13-11-8-6-4-2/h3-14H2,1-2H3
InChIKey XAZROQGRFWCMBU-UHFFFAOYSA-N
SMILES O(CCCCCCCC)C(=O)CCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Octyl heptanoate (CHEBI:172100) is a carboxylic ester (CHEBI:33308)
IUPAC Name
octyl heptanoate
Manual Xrefs Databases
454746 ChemSpider
HMDB0036220 HMDB
LMFA07010981 LIPID MAPS
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Registry Number Type Source
5132-75-2 CAS Registry Number ChemIDplus