CHEBI:87432 - methyl octanoate

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ChEBI Name methyl octanoate
ChEBI ID CHEBI:87432
Definition A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H18O2
Net Charge 0
Average Mass 158.23800
Monoisotopic Mass 158.13068
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
SMILES CCCCCCCC(=O)OC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing methyl octanoate (CHEBI:87432) has role metabolite (CHEBI:25212)
methyl octanoate (CHEBI:87432) is a fatty acid methyl ester (CHEBI:4986)
methyl octanoate (CHEBI:87432) is a octanoate ester (CHEBI:87657)
Incoming methyl 8-(tetracyclo[6.4.0.02,7.03,6]dodec-10-yl)octanoate (CHEBI:132947) has functional parent methyl octanoate (CHEBI:87432)
IUPAC Name
methyl octanoate
Synonyms Sources
caprylic acid methyl ester ChEBI
methyl caprylate ChEBI
octanoic acid methyl ester ChEBI
Manual Xref Database
HMDB0031291 HMDB
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Registry Numbers Types Sources
111-11-5 CAS Registry Number ChemIDplus
111-11-5 CAS Registry Number NIST Chemistry WebBook
1752270 Reaxys Registry Number Reaxys
Last Modified
28 August 2015