Summary

IMPPAT Phytochemical identifier: IMPHY017395

Phytochemical name: 2-Hydroxyethyl oleate

Synonymous chemical names:
9-octadecenoic acid (z)-,2-hydroxyethyl ester

External chemical identifiers:
CID:5364420, ChEMBL:CHEMBL3182752, ZINC:ZINC000056898838, FDASRS:9Z5UXZ64XA, SureChEMBL:SCHEMBL93861

---

Chemical structure information

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

InChI:
InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h9-10,21H,2-8,11-19H2,1H3/b10-9-

InChIKey:
MUHFRORXWCGZGE-KTKRTIGZSA-N

DeepSMILES:
CCCCCCCC/C=CCCCCCCCC=O)OCCO

Functional groups:
C/C=CC, CO, 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: 0.812

---

Chemical structure download