Summary

IMPPAT Phytochemical identifier: IMPHY016734

Phytochemical name: Methyl 13-methylpentadecanoate

Synonymous chemical names:
methyl 13-methyl-pentadecanoate

External chemical identifiers:
CID:554151, MolPort-003-958-714

---

Chemical structure information

SMILES:
CCC(CCCCCCCCCCCC(=O)OC)C

InChI:
InChI=1S/C17H34O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3

InChIKey:
FRGDXZRZDAJTOU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=O)OC))))))))))))))C

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: 0.635

---

Chemical structure download