Summary

IMPPAT Phytochemical identifier: IMPHY016231

Phytochemical name: 2-Ethylbutyric acid

Synonymous chemical names:
2-ethylbutyric acid

External chemical identifiers:
CID:6915, ChEMBL:CHEMBL184290, ChEBI:173424, ZINC:ZINC000000388073, FDASRS:IDY8B990KE, SureChEMBL:SCHEMBL6114, MolPort-001-783-063

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Chemical structure information

SMILES:
CCC(C(=O)O)CC

InChI:
InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey:
OXQGTIUCKGYOAA-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)O))CC

Functional groups:
CC(=O)O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Branched fatty acids

NP-Likeness score: 0.385

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Chemical structure download