Summary

IMPPAT Phytochemical identifier: IMPHY014047

Phytochemical name: 20-Hydroxyicosanoic acid

Synonymous chemical names:
20-hydroxyeicosanoic acid

External chemical identifiers:
CID:5282919, ChEBI:79190, ZINC:ZINC000014449691, SureChEMBL:SCHEMBL401769, MolPort-001-740-363

---

Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C20H40O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h21H,1-19H2,(H,22,23)

InChIKey:
JLDIWYKSFMPIDW-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
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: 0.425

---

Chemical structure download