Summary

IMPPAT Phytochemical identifier: IMPHY014810

Phytochemical name: 18-hydroxy-9Z,11E,13E-octadecatrienoic acid

Synonymous chemical names:
alpha-kamlolenic acid

External chemical identifiers:
CID:5282949, ZINC:ZINC000033820367

---

Chemical structure information

SMILES:
OCCCC/C=C/C=C/C=CCCCCCCCC(=O)O

InChI:
InChI=1S/C18H30O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-3,5,7,9,19H,4,6,8,10-17H2,(H,20,21)/b2-1-,5-3+,9-7+

InChIKey:
YPHQMIRXEFDOQM-ALXQIFAGSA-N

DeepSMILES:
OCCCC/C=C/C=C/C=CCCCCCCCC=O)O

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

---

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-Likeness score: 1.282

---

Chemical structure download