Summary

IMPPAT Phytochemical identifier: IMPHY012895

Phytochemical name: 2,4-Pentadienal

Synonymous chemical names:
2, 4- pentadienal, 2,4-pentadienal

External chemical identifiers:
CID:5986428, ZINC:ZINC000001692349, FDASRS:XVX50AC1J0, SureChEMBL:SCHEMBL413716

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Chemical structure information

SMILES:
C=C/C=C/C=O

InChI:
InChI=1S/C5H6O/c1-2-3-4-5-6/h2-5H,1H2/b4-3+

InChIKey:
PPXGQLMPUIVFRE-ONEGZZNKSA-N

DeepSMILES:
C=C/C=C/C=O

Functional groups:
C=C/C=C/C=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: 2.791

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Chemical structure download