Summary

IMPPAT Phytochemical identifier: IMPHY015100

Phytochemical name: Tridecyl behenate

Synonymous chemical names:
tridecyl docosanoate

External chemical identifiers:
CID:22287906, ZINC:ZINC000113363546, SureChEMBL:SCHEMBL236962

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC

InChI:
InChI=1S/C35H70O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(36)37-34-32-30-28-26-24-14-12-10-8-6-4-2/h3-34H2,1-2H3

InChIKey:
VBCBSDJKFLGBIX-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=O)OCCCCCCCCCCCCC

Functional groups:
COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.105

---

Chemical structure download