Summary

IMPPAT Phytochemical identifier: IMPHY014311

Phytochemical name: 3-Dotriacontanone, 25-hydroxy-

Synonymous chemical names:
8-hydroxydotriacontan-30-one

External chemical identifiers:
CID:14559838

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Chemical structure information

SMILES:
CCCCCCCC(CCCCCCCCCCCCCCCCCCCCCC(=O)CC)O

InChI:
InChI=1S/C32H64O2/c1-3-5-6-22-26-29-32(34)30-27-24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-25-28-31(33)4-2/h32,34H,3-30H2,1-2H3

InChIKey:
PMWIFCAKOPRVIG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC))))))))))))))))))))))))O

Functional groups:
CC(C)=O, CO

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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: Fatty alcohols, Oxygenated hydrocarbons

NP-Likeness score: 0.605

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Chemical structure download