Summary

IMPPAT Phytochemical identifier: IMPHY012098

Phytochemical name: Ethyl oleate

Synonymous chemical names:
ethyl cis-9-octadecanoate, oleic acid ethyl ester

External chemical identifiers:
CID:5363269, ChEMBL:CHEMBL2106289, ChEBI:84940, ZINC:ZINC000008214560, FDASRS:Z2Z439864Y, SureChEMBL:SCHEMBL2797, MolPort-001-788-276

---

Chemical structure information

SMILES:
CCCCCCCC/C=CCCCCCCCC(=O)OCC

InChI:
InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-

InChIKey:
LVGKNOAMLMIIKO-QXMHVHEDSA-N

DeepSMILES:
CCCCCCCC/C=CCCCCCCCC=O)OCC

Functional groups:
C/C=CC, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.586

---

Chemical structure download