Summary

IMPPAT Phytochemical identifier: IMPHY012308

Phytochemical name: Butyrate

Synonymous chemical names:
butyrate

External chemical identifiers:
CID:104775, ChEBI:17968

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Chemical structure information

SMILES:
[O-]C(=O)CCC

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

InChIKey:
FERIUCNNQQJTOY-UHFFFAOYSA-M

DeepSMILES:
[O-]C=O)CCC

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 acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: -0.199

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Chemical structure download