Summary

IMPPAT Phytochemical identifier: IMPHY017643

Phytochemical name: 2-trans-6-cis-Dodecadienal

Synonymous chemical names:
(e,z)-2,6-dodecadienal, trans-2-cis-6-dodecadienal

External chemical identifiers:
CID:6430759, ChEBI:171893, ZINC:ZINC000025695874, FDASRS:6CPL2532NR, SureChEMBL:SCHEMBL2519008

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Chemical structure information

SMILES:
CCCCC/C=CCC/C=C/C=O

InChI:
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,10-12H,2-5,8-9H2,1H3/b7-6-,11-10+

InChIKey:
VPEGROOEBNSCCL-JFEAUALZSA-N

DeepSMILES:
CCCCC/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: 2.066

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Chemical structure download