Summary

IMPPAT Phytochemical identifier: IMPHY013233

Phytochemical name: 25-Hydroxy-33-methylpentatricontan-6-one

Synonymous chemical names:
25-hydroxy-33-methylpentatriacontan-6-one

External chemical identifiers:
CID:14825159

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Chemical structure information

SMILES:
CCCCCC(=O)CCCCCCCCCCCCCCCCCCC(CCCCCCCC(CC)C)O

InChI:
InChI=1S/C36H72O2/c1-4-6-24-30-35(37)31-26-21-17-15-13-11-9-7-8-10-12-14-16-18-22-27-32-36(38)33-28-23-19-20-25-29-34(3)5-2/h34,36,38H,4-33H2,1-3H3

InChIKey:
VFHQZROWJLVUBX-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC))C)))))))))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: 0.648

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Chemical structure download