Summary

IMPPAT Phytochemical identifier: IMPHY017192

Phytochemical name: 1,9-Nonanediol

Synonymous chemical names:
nonan-1,9-diol

External chemical identifiers:
CID:19835, ChEBI:167089, ZINC:ZINC000001686934, FDASRS:N4385C65C6, SureChEMBL:SCHEMBL28047, MolPort-001-779-927

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Chemical structure information

SMILES:
OCCCCCCCCCO

InChI:
InChI=1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2

InChIKey:
ALVZNPYWJMLXKV-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCO

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: 0.563

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Chemical structure download