Summary

IMPPAT Phytochemical identifier: IMPHY003307

Phytochemical name: Methyl 16-hydroxyhexadecanoate

Synonymous chemical names:
juniperene

External chemical identifiers:
CID:3496888, SureChEMBL:SCHEMBL1245383

---

Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCC(=O)OC

InChI:
InChI=1S/C17H34O3/c1-20-17(19)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18/h18H,2-16H2,1H3

InChIKey:
AOTMRIXFFOGWDT-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCC=O)OC

Functional groups:
CO, COC(C)=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 0.431

---

Chemical structure download