Summary

IMPPAT Phytochemical identifier: IMPHY013186

Phytochemical name: Stearoin

Synonymous chemical names:
19-hydroxyhexatriacontan-18-one

External chemical identifiers:
CID:14237691

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCC)O

InChI:
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,37H,3-34H2,1-2H3

InChIKey:
LUPUFBOLZLVYOI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)CCCCCCCCCCCCCCCCCC)))))))))))))))))O

Functional groups:
CC(C)=O, CO

---

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 acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.394

---

Chemical structure download