Summary

IMPPAT Phytochemical identifier: IMPHY000599

Phytochemical name: Octacosanoic acid

Synonymous chemical names:
montanic acid, n-octacosanoic acid, octacosanoic acid

External chemical identifiers:
CID:10470, ChEMBL:CHEMBL2261064, ChEBI:31001, ZINC:ZINC000006920382, FDASRS:4BKL1A0KJY, SureChEMBL:SCHEMBL49866, MolPort-002-485-414

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)

InChIKey:
UTOPWMOLSKOLTQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

---

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, Unsaturated fatty acids

NP-Likeness score: 0.231

---

Chemical structure download