Summary

IMPPAT Phytochemical identifier: IMPHY007714

Phytochemical name: Butyraldehyde

Synonymous chemical names:
butanal, butyraldehyde

External chemical identifiers:
CID:261, ChEMBL:CHEMBL1478334, ChEBI:15743, ZINC:ZINC000001529195, FDASRS:H21352682A, SureChEMBL:SCHEMBL807, MolPort-001-783-782

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Chemical structure information

SMILES:
CCCC=O

InChI:
InChI=1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChIKey:
ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

DeepSMILES:
CCCC=O

Functional groups:
CC=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: 1.653

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Chemical structure download