Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007163

Phytochemical name: Crotonaldehyde

Synonymous chemical names:
crotonaldehyde, crotonal

External chemical identifiers:
CID:CID_447466, ChEMBL:CHEMBL1086445, ChEBI:CHEBI:41607, ZINC:ZINC000001686876, FDASRS:6PUW625907, SureChEMBL:SCHEMBL38449, MolPort-001-783-817

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Chemical structure information

SMILES:
C/C=C/C=O

InChI:
InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

InChIKey:
MLUCVPSAIODCQM-NSCUHMNNSA-N

DeepSMILES:
C/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: 1.946

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Chemical structure download