Summary

IMPPAT Phytochemical identifier: IMPHY011324

Phytochemical name: trans,trans-2,4-Nonadienal

Synonymous chemical names:
(e, e)- 2, 4-nonadienal, (e,e)-2,4-nonadienai, nonadienal

External chemical identifiers:
CID:5283339, ChEMBL:CHEMBL4074177, ZINC:ZINC000002029886, FDASRS:Y411G77SH7, SureChEMBL:SCHEMBL230877

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Chemical structure information

SMILES:
CCCC/C=C/C=C/C=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-BSWSSELBSA-N

DeepSMILES:
CCCC/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: 2.49

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Chemical structure download