Summary

IMPPAT Phytochemical identifier: IMPHY013553

Phytochemical name: 29-Hydroxynonacosan-3-on

Synonymous chemical names:
29-hydroxynonacosan-3-one

External chemical identifiers:
CID:86055917

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC

InChI:
InChI=1S/C29H58O2/c1-2-29(31)27-25-23-21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24-26-28-30/h30H,2-28H2,1H3

InChIKey:
YYEWXQHNUIZMLK-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC

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: 0.449

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Chemical structure download