Summary

IMPPAT Phytochemical identifier: IMPHY014477

Phytochemical name: Octacosane-6,8-diol

Synonymous chemical names:
octacosane-6,8-diol

External chemical identifiers:
CID:73082401

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

InChI:
InChI=1S/C28H58O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25-28(30)26-27(29)24-22-6-4-2/h27-30H,3-26H2,1-2H3

InChIKey:
YLQMTWQFHUFYEG-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCC)))))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: 0.553

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Chemical structure download