Summary

IMPPAT Phytochemical identifier: IMPHY011322

Phytochemical name: 2,4-Nonadienal

Synonymous chemical names:
2,6-nonadien-1-al

External chemical identifiers:
CID:6428555, ChEMBL:CHEMBL3185994, ChEBI:89743, ZINC:ZINC000013545912, SureChEMBL:SCHEMBL3123073

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Chemical structure information

SMILES:
CCCC/C=C/C=CC=O

InChI:
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5+,8-7-

InChIKey:
ZHHYXNZJDGDGPJ-MDAAKZFYSA-N

DeepSMILES:
CCCC/C=C/C=CC=O

Functional groups:
C/C=C/C=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: 2.49

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Chemical structure download