Summary

IMPPAT Phytochemical identifier: IMPHY017009

Phytochemical name: 3-Nonanol

Synonymous chemical names:
3-nonanol

External chemical identifiers:
CID:12216, ChEMBL:CHEMBL487999, ChEBI:165508, FDASRS:047779Z489, SureChEMBL:SCHEMBL295320, MolPort-001-759-250

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Chemical structure information

SMILES:
CCCCCCC(CC)O

InChI:
InChI=1S/C9H20O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-8H2,1-2H3

InChIKey:
GYSCXPVAKHVAAY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC))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: 1.393

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Chemical structure download