Summary

IMPPAT Phytochemical identifier: IMPHY013352

Phytochemical name: methyl (15E,17E)-nonadeca-15,17-dienoate

Synonymous chemical names:
methyl nonadeca-15,17-dienoate

External chemical identifiers:
CID:24873804

---

Chemical structure information

SMILES:
C/C=C/C=C/CCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-6H,7-19H2,1-2H3/b4-3+,6-5+

InChIKey:
BDWYJHVGEIPXSA-VNKDHWASSA-N

DeepSMILES:
C/C=C/C=C/CCCCCCCCCCCCCC=O)OC

Functional groups:
C/C=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: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.031

---

Chemical structure download