Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004128

Phytochemical name: (Z)-2-hexenal

Synonymous chemical names:
(z)hex-2-enal, cis-hex-2-enal, (Z)-2-hexenal, (z)-2-hexenai, cis-2-hexenal, (z)-hex-2-enal, (z)-2-hexenal

External chemical identifiers:
CID:CID_6428782, ChEBI:CHEBI:18554, ZINC:ZINC000013507863, FDASRS:KX1W9X5P0E, SureChEMBL:SCHEMBL1701371

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Chemical structure information

SMILES:
CCC/C=C\C=O

InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4-

InChIKey:
MBDOYVRWFFCFHM-PLNGDYQASA-N

DeepSMILES:
CCC/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: 2.462

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Chemical structure download