Summary

IMPPAT Phytochemical identifier: IMPHY009859

Phytochemical name: Octadecanal

Synonymous chemical names:
octadecanal, octadecanal (stearaldehyde), octandecanal, stearaldehyde

External chemical identifiers:
CID:12533, ChEBI:17034, ZINC:ZINC000008217412, FDASRS:PH4GZ7JT4C, SureChEMBL:SCHEMBL3471, MolPort-001-787-537

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3

InChIKey:
FWWQKRXKHIRPJY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O

Functional groups:
CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 0.73

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Chemical structure download