Summary

IMPPAT Phytochemical identifier: IMPHY009578

Phytochemical name: Nonacosane-6,8-diol

Synonymous chemical names:
nonacosane-6,8-diol

External chemical identifiers:
CID:130335, ChEMBL:CHEMBL336634

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

InChI:
InChI=1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-29(31)27-28(30)25-23-6-4-2/h28-31H,3-27H2,1-2H3

InChIKey:
DAGYDJHSDMRWJX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))O)))O

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.535

---

Chemical structure download