CHEBI:142657 - methyl pentadecanoate

ChEBI IDCHEBI:142657
ChEBI Namemethyl pentadecanoate
Stars
DefinitionA fatty acid ester obtained by condensation of the carboxy group of pentadecanoic acid with the hydroxy group of methanol.
Last Modified4 December 2018
Submittermwilliams
DownloadsMolfile
FormulaC16H32O2
Net Charge0
Average Mass256.430
Monoisotopic Mass256.24023
SMILESCCCCCCCCCCCCCCC(=O)OC
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h3-15H2,1-2H3
InChIKeyXIUXKAZJZFLLDQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Capsicum frutescens (ncbitaxon:4073) fruit (BTO:0000486) PubMed (17562464) Isolated from fruit extract.
Rhodococcus erythropolis (ncbitaxon:1833) - PubMed (15553786) Strain: EK1
Lonchocarpus montanus (IPNI:77099648-1) root (BTO:0001188) PubMed (17768528)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
methyl pentadecanoate (CHEBI:142657) has functional parent pentadecanoic acid (CHEBI:42504)
methyl pentadecanoate (CHEBI:142657) has role bacterial metabolite (CHEBI:76969)
methyl pentadecanoate (CHEBI:142657) has role plant metabolite (CHEBI:76924)
methyl pentadecanoate (CHEBI:142657) is a fatty acid methyl ester (CHEBI:4986)
IUPAC Name 
methyl pentadecanoate
Synonyms  Source
methyl n-pentadecanoateChemIDplus
pentadecanoic acid, methyl esterChemIDplus
n-pentadecanoic acid methyl esterNIST Chemistry WebBook
pentadecanoic acid methyl esterChEBI
Manual XrefsDatabases
C00051574KNApSAcK
Registry NumbersSources
Beilstein:1776383Beilstein
CAS:7132-64-1KNApSAcK
CAS:7132-64-1ChemIDplus
CAS:7132-64-1NIST Chemistry WebBook
Citations