Summary

IMPPAT Phytochemical identifier: IMPHY003760

Phytochemical name: 2-Nonenal

Synonymous chemical names:
( e )-non-2-enal, (e)-2- nonenal, (e)-2-nonenai, (e)-2-nonenal, (e)-non-2-enal, 2-nonenal, 2-nonenal,, nonen-1-al <2e->, trans-2- nonenal, trans-2-nonenal

External chemical identifiers:
CID:5283335, ChEMBL:CHEMBL450072, ChEBI:142592, ZINC:ZINC000001571215, FDASRS:8VEO649985, SureChEMBL:SCHEMBL102464, MolPort-001-792-108

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Chemical structure information

SMILES:
CCCCCC/C=C/C=O

InChI:
InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3/b8-7+

InChIKey:
BSAIUMLZVGUGKX-BQYQJAHWSA-N

DeepSMILES:
CCCCCC/C=C/C=O

Functional groups:
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: 2.226

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Chemical structure download