Summary

IMPPAT Phytochemical identifier: IMPHY010309

Phytochemical name: (2Z,6E)-2,6-Nonadienal

Synonymous chemical names:
cis, trans-2,6-nonadienal

External chemical identifiers:
CID:12106224, ZINC:ZINC000013551389, SureChEMBL:SCHEMBL1116445

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Chemical structure information

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

InChI:
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,7-9H,2,5-6H2,1H3/b4-3+,8-7-

InChIKey:
HZYHMHHBBBSGHB-UTUPVWNLSA-N

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

Functional groups:
C/C=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: 2.576

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Chemical structure download