Summary

IMPPAT Phytochemical identifier: IMPHY008215

Phytochemical name: 18-Hydroxy-9-octadecenoic acid

Synonymous chemical names:
18-hydroxyoctadec-9-enoic acid

External chemical identifiers:
CID:6365155, SureChEMBL:SCHEMBL561758

---

Chemical structure information

SMILES:
OCCCCCCCC/C=C/CCCCCCCC(=O)O

InChI:
InChI=1S/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20,21)/b2-1+

InChIKey:
LQUHZVLTTWMBTO-OWOJBTEDSA-N

DeepSMILES:
OCCCCCCCC/C=C/CCCCCCCC=O)O

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

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.964

---

Chemical structure download