Summary

IMPPAT Phytochemical identifier: IMPHY013549

Phytochemical name: 28-Hydroxypentatriacontan-7-one

Synonymous chemical names:
28-hydroxypentatriacontan-7-one

External chemical identifiers:
CID:85675296

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Chemical structure information

SMILES:
CCCCCCCC(CCCCCCCCCCCCCCCCCCCCC(=O)CCCCCC)O

InChI:
InChI=1S/C35H70O2/c1-3-5-7-23-27-31-35(37)33-29-25-22-20-18-16-14-12-10-9-11-13-15-17-19-21-24-28-32-34(36)30-26-8-6-4-2/h35,37H,3-33H2,1-2H3

InChIKey:
VLWNQJCOTZJFAE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCCCC)))))))))))))))))))))))))))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: 0.499

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Chemical structure download