Summary

IMPPAT Phytochemical identifier: IMPHY013987

Phytochemical name: 7,10,13-Hexadecatrienoic acid methyl ester

Synonymous chemical names:
methyl ester of 7,10,13 hexadecatrienoic acid

External chemical identifiers:
CID:556196

---

Chemical structure information

SMILES:
CCC=CCC=CCC=CCCCCCC(=O)OC

InChI:
InChI=1S/C17H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h4-5,7-8,10-11H,3,6,9,12-16H2,1-2H3

InChIKey:
DUOCBVNCDAEWTB-UHFFFAOYSA-N

DeepSMILES:
CCC=CCC=CCC=CCCCCCC=O)OC

Functional groups:
CC=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: 1.318

---

Chemical structure download