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CHEBI:87432 - methyl octanoate

ChEBI IDCHEBI:87432
ChEBI Namemethyl octanoate
Stars
DefinitionA fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol.
Last Modified28 August 2015
Submitternamrata
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCCCCCCCC(=O)OC
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKeyJGHZJRVDZXSNKQ-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
octanoic acid methyl esterChEBI
caprylic acid methyl esterChEBI
methyl caprylateChEBI
Manual XrefsDatabases
HMDB0031291HMDB
Registry NumbersSources
Reaxys:1752270Reaxys
CAS:111-11-5NIST Chemistry WebBook
CAS:111-11-5ChemIDplus