Summary

IMPPAT Phytochemical identifier: IMPHY007070

Phytochemical name: Pentacosane-6,8-diol

Synonymous chemical names:
pentacosane-6,8-diol

External chemical identifiers:
CID:85095318

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(CC(CCCCC)O)O

InChI:
InChI=1S/C25H52O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-22-25(27)23-24(26)21-19-6-4-2/h24-27H,3-23H2,1-2H3

InChIKey:
HGYIREHUWCLKJM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCC)))))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: 0.614

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Chemical structure download