Summary

IMPPAT Phytochemical identifier: IMPHY007712

Phytochemical name: Butyl 3-hydroxybutanoate

Synonymous chemical names:
butyl 3-hydroxybutanoate

External chemical identifiers:
CID:103808, SureChEMBL:SCHEMBL1455543

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Chemical structure information

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

InChI:
InChI=1S/C8H16O3/c1-3-4-5-11-8(10)6-7(2)9/h7,9H,3-6H2,1-2H3

InChIKey:
LHDWRKCOQQHAMP-UHFFFAOYSA-N

DeepSMILES:
CCCCOC=O)CCO)C

Functional groups:
CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.825

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Chemical structure download