Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004150

Phytochemical name: Butyl palmitate

Synonymous chemical names:
n-bu-palmitate, Butyl palmitate, butyl hexadecanoate, buthyl hexadecanoate, n-butyl palmitate

External chemical identifiers:
CID:CID_8090, ChEBI:CHEBI:132549, ZINC:ZINC000078073414, FDASRS:DUQ37A5I26, SureChEMBL:SCHEMBL284459, MolPort-006-110-656

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OCCCC

InChI:
InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3

InChIKey:
GLYJVQDYLFAUFC-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCCC

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: 0.15

---

Chemical structure download