IMPPAT Phytochemical information: 
Methyl hexadecanoate; methyl octadecanoate
Methyl hexadecanoate; methyl octadecanoate
Summary

IMPPAT Phytochemical identifier: IMPHY017666

Phytochemical name: Methyl hexadecanoate; methyl octadecanoate

Synonymous chemical names:
hexadecanoate

External chemical identifiers:
CID:6482596, SureChEMBL:SCHEMBL2391925
Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC.CCCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C19H38O2.C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-18H2,1-2H3;3-16H2,1-2H3

InChIKey:
XICSTKPMYLWLBF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OC.CCCCCCCCCCCCCCCCCC=O)OC

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: Fatty acid estolides

NP-Likeness score: 0.12

Chemical structure download
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT