Summary

IMPPAT Phytochemical identifier: IMPHY008678

Phytochemical name: Propionaldehyde

Synonymous chemical names:
propanal, propional, propionaldehyde

External chemical identifiers:
CID:527, ChEMBL:CHEMBL275626, ChEBI:17153, ZINC:ZINC000000895256, FDASRS:AMJ2B4M67V, SureChEMBL:SCHEMBL4992, MolPort-001-769-727

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Chemical structure information

SMILES:
CCC=O

InChI:
InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3

InChIKey:
NBBJYMSMWIIQGU-UHFFFAOYSA-N

DeepSMILES:
CCC=O

Functional groups:
CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.072

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Chemical structure download