Summary

IMPPAT Phytochemical identifier: IMPHY014628

Phytochemical name: 12-Octadecadienoic acid

Synonymous chemical names:
12-octadecadienoic acid

External chemical identifiers:
CID:129630222

---

Chemical structure information

SMILES:
CCCCC/C=C/CCCCCC/C=C/CCC(=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/h6-7,14-15H,2-5,8-13,16-17H2,1H3,(H,19,20)/b7-6+,15-14+

InChIKey:
WAYIYZIBVLSLDS-HHFIESAYSA-N

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

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

---

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: 1.016

---

Chemical structure download