Summary

IMPPAT Phytochemical identifier: IMPHY008770

Phytochemical name: Ethyl hexacosanoate

Synonymous chemical names:
ethyl hexacosanoate

External chemical identifiers:
CID:13297142, SureChEMBL:SCHEMBL8322451

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC

InChI:
InChI=1S/C28H56O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30-4-2/h3-27H2,1-2H3

InChIKey:
VFWXXMBQXSOLQQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=O)OCC

Functional groups:
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: 0.081

---

Chemical structure download