Summary

IMPPAT Phytochemical identifier: IMPHY005526

Phytochemical name: 2-Undecenal

Synonymous chemical names:
( e )-undec-2-enal, (e )-2-undecenal, (e)-2-undecenal, (e)-undec-2-enal, (e)-undecanal-2, 2-undecenal, 2-undecenal*, trans-2-undecenal

External chemical identifiers:
CID:5283356, ChEMBL:CHEMBL451328, ChEBI:132843, ZINC:ZINC000001849946, FDASRS:FNP3S9MG30, SureChEMBL:SCHEMBL107550, MolPort-003-960-116

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Chemical structure information

SMILES:
CCCCCCCC/C=C/C=O

InChI:
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h9-11H,2-8H2,1H3/b10-9+

InChIKey:
PANBRUWVURLWGY-MDZDMXLPSA-N

DeepSMILES:
CCCCCCCC/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: 1.855

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Chemical structure download