Summary

IMPPAT Phytochemical identifier: IMPHY013488

Phytochemical name: 10,13-Octadecadienoic acid

Synonymous chemical names:
10,13-octadecadienoic acid

External chemical identifiers:
CID:54284936

---

Chemical structure information

SMILES:
CCCCC=CCC=CCCCCCCCCC(=O)O

InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6,8-9H,2-4,7,10-17H2,1H3,(H,19,20)

InChIKey:
ZODRLJLUCBBQSJ-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CCC=CCCCCCCCCC=O)O

Functional groups:
CC(=O)O, CC=CC

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.259

---

Chemical structure download