Chemical Component Summary

NameMETHYL NONANOATE (ESTER)
Identifiersmethyl nonanoate
FormulaC10 H20 O2
Molecular Weight172.265
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCC(=O)OC
InChIInChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChIKeyIJXHLVMUNBOGRR-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count31
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB01631 
NameMethyl nonanoate
Groups experimental
Synonyms
  • Pelargonic acid methyl ester
  • Methyl pelargonate
  • Methyl ester nonanoic acid
  • Methyl n-nonanoate
  • Methyl nonanoate
CAS number1731-84-6

Drug Targets

NameTarget SequencePharmacological ActionActions
Ig gamma-1 chain C regionASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGV...unknown
Neutrophil gelatinase-associated lipocalinMPLGLLWLGLALLGALHAQAQDSTSDLIPAPPLSKVPLQQNFQDNQFQGK...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 15606
ChEBI CHEBI:44499
CCDC/CSD BIPJUI