Summary

IMPPAT Phytochemical identifier: IMPHY014790

Phytochemical name: 9-Ketooctacosanoic acid

Synonymous chemical names:
9-oxo-octacosanoic acid

External chemical identifiers:
CID:23509045, SureChEMBL:SCHEMBL6839108

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)CCCCCCCC(=O)O

InChI:
InChI=1S/C28H54O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-27(29)25-22-19-17-20-23-26-28(30)31/h2-26H2,1H3,(H,30,31)

InChIKey:
JMIGCFVTGQGONA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=O)CCCCCCCC=O)O

Functional groups:
CC(=O)O, CC(C)=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: Oxo fatty acids

NP-Likeness score: 0.394

---

Chemical structure download