Summary

IMPPAT Phytochemical identifier: IMPHY015428

Phytochemical name: 6,9,12,15-Docosatetraenoic acid, methyl ester

Synonymous chemical names:
6,9,12,15-docosatetraenoic acid methyl ester, 6,9,12,15-docosatetraenoic acid,methyl ester

External chemical identifiers:
CID:5362672

---

Chemical structure information

SMILES:
CCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)OC

InChI:
InChI=1S/C23H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-22H2,1-2H3/b9-8+,12-11+,15-14+,18-17+

InChIKey:
ABTUXHHGWUMMDY-ZMDWBYSWSA-N

DeepSMILES:
CCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC=O)OC

Functional groups:
C/C=C/C, 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: Eicosanoids

NP Classifier Class: Other Eicosanoids

NP-Likeness score: 0.865

---

Chemical structure download