Summary

IMPPAT Phytochemical identifier: IMPHY003240

Phytochemical name: 1,22-Docosanediol

Synonymous chemical names:
1,22-docosanediol

External chemical identifiers:
CID:347359, ChEMBL:CHEMBL470773, SureChEMBL:SCHEMBL472790

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Chemical structure information

SMILES:
OCCCCCCCCCCCCCCCCCCCCCCO

InChI:
InChI=1S/C22H46O2/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24/h23-24H,1-22H2

InChIKey:
HIBKFQRBONXURO-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCO

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: 0.258

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Chemical structure download