Summary

IMPPAT Phytochemical identifier: IMPHY016786

Phytochemical name: 3,6,9,12,15,18,21-Heptaoxatricosane-1,23-diol

Synonymous chemical names:
octaethylene glycol

External chemical identifiers:
CID:78798, ChEBI:44794, ZINC:ZINC000005178830, SureChEMBL:SCHEMBL45160, MolPort-003-926-911

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Chemical structure information

SMILES:
OCCOCCOCCOCCOCCOCCOCCOCCO

InChI:
InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2

InChIKey:
GLZWNFNQMJAZGY-UHFFFAOYSA-N

DeepSMILES:
OCCOCCOCCOCCOCCOCCOCCOCCO

Functional groups:
CO, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Ethers

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Monoacylglycerols

NP-Likeness score: 0.02

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Chemical structure download