Summary

IMPPAT Phytochemical identifier: IMPHY008196

Phytochemical name: 2,4-Hexadienal

Synonymous chemical names:
(e,e)-2,4-hexadienal, 2,4-hexadienal

External chemical identifiers:
CID:637564, ChEMBL:CHEMBL1576086, ChEBI:82334, ZINC:ZINC000001733897, FDASRS:878K4I6N7T, SureChEMBL:SCHEMBL226016, MolPort-001-769-759

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Chemical structure information

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

InChI:
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3/b3-2+,5-4+

InChIKey:
BATOPAZDIZEVQF-MQQKCMAXSA-N

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

Functional groups:
C/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: 2.177

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Chemical structure download