Summary

IMPPAT Phytochemical identifier: IMPHY010939

Phytochemical name: trans-2,cis-6-Nonadienal

Synonymous chemical names:
(e)-2,(z)-6-nonadienal, (e, z)-2-nonadienal, (e,z)-2,6,-nonadienal, (e,z)-2,6-nonadienal, 2(e), 6(z)-nonadienal, 2e/6z-nonadienal

External chemical identifiers:
CID:643731, ChEBI:7610, ZINC:ZINC000004529351, FDASRS:93E895X03C, SureChEMBL:SCHEMBL170185, MolPort-001-792-106

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Chemical structure information

SMILES:
CC/C=CCC/C=C/C=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-ODYTWBPASA-N

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

Functional groups:
C/C=C/C=O, C/C=CC

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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