Summary

IMPPAT Phytochemical identifier: IMPHY015256

Phytochemical name: 2-Ethylbutanal

Synonymous chemical names:
2-ethyl butanal

External chemical identifiers:
CID:7359, ChEMBL:CHEMBL273782, ChEBI:173345, ZINC:ZINC000001866965, FDASRS:676JY5569P, SureChEMBL:SCHEMBL29715, MolPort-001-791-807

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Chemical structure information

SMILES:
CCC(C=O)CC

InChI:
InChI=1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

InChIKey:
UNNGUFMVYQJGTD-UHFFFAOYSA-N

DeepSMILES:
CCCC=O))CC

Functional groups:
CC=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.179

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Chemical structure download