Summary

IMPPAT Phytochemical identifier: IMPHY005617

Phytochemical name: Ceroplastic acid

Synonymous chemical names:
pentatriacontanoic acid

External chemical identifiers:
CID:5282595, ChEBI:165440, SureChEMBL:SCHEMBL336639

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C35H70O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35(36)37/h2-34H2,1H3,(H,36,37)

InChIKey:
HVUCKZJUWZBJDP-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=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: 0.187

---

Chemical structure download