Summary

IMPPAT Phytochemical identifier: IMPHY010081

Phytochemical name: Butyric acid

Synonymous chemical names:
1-butyric-acid, acid butanoic, butanoate, butanoic acid, butyric acid, butyric-acid, n-butyric acid

External chemical identifiers:
CID:264, ChEMBL:CHEMBL14227, ChEBI:30772, ZINC:ZINC000000895132, FDASRS:40UIR9Q29H, SureChEMBL:SCHEMBL2503, MolPort-001-769-669

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Chemical structure information

SMILES:
CCCC(=O)O

InChI:
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey:
FERIUCNNQQJTOY-UHFFFAOYSA-N

DeepSMILES:
CCCC=O)O

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, Unsaturated fatty acids

NP-Likeness score: 0.484

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Covalent inhibitor information

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Chemical structure download