Summary

IMPPAT Phytochemical identifier: IMPHY002678

Phytochemical name: Nonacosane-5,10-diol

Synonymous chemical names:
nonacosane-5,10-diol

External chemical identifiers:
CID:13797568, SureChEMBL:SCHEMBL546841

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCC(CCCCC(CCCC)O)O

InChI:
InChI=1S/C29H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-29(31)27-23-22-26-28(30)24-6-4-2/h28-31H,3-27H2,1-2H3

InChIKey:
DOWKETVLGQEPMI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC))))O))))))O

Functional groups:
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

NP-Likeness score: 0.427

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Chemical structure download