Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006740

Phytochemical name: 3,6-Nonadienal

Synonymous chemical names:
(z,z)-3,6-nonadienol

External chemical identifiers:
CID:CID_5352808, ChEBI:CHEBI:80444, ZINC:ZINC000014614317, SureChEMBL:SCHEMBL2597474, MolPort-022-366-235

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Chemical structure information

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

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

InChIKey:
FIDBXHOCOXRPRO-CWWKMNTPSA-N

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

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

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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: 2.028

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Chemical structure download