Summary

IMPPAT Phytochemical identifier: IMPHY013548

Phytochemical name: 1-Hydroxytetratriacontan-4-one

Synonymous chemical names:
1-hydroxytetra triacontan-4-one

External chemical identifiers:
CID:85655677, ZINC:ZINC000085913473

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCO

InChI:
InChI=1S/C34H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-34(36)32-30-33-35/h35H,2-33H2,1H3

InChIKey:
OFUTUOXRVNXZST-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCO

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: 0.364

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Chemical structure download