Summary

IMPPAT Phytochemical identifier: IMPHY015666

Phytochemical name: Ethyl levulinate

Synonymous chemical names:
ethyl levulinate

External chemical identifiers:
CID:10883, ChEMBL:CHEMBL3182933, ChEBI:169371, ZINC:ZINC000003860971, FDASRS:7BU24CSS2G, SureChEMBL:SCHEMBL92709, MolPort-001-769-738

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Chemical structure information

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

InChI:
InChI=1S/C7H12O3/c1-3-10-7(9)5-4-6(2)8/h3-5H2,1-2H3

InChIKey:
GMEONFUTDYJSNV-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCC=O)C

Functional groups:
CC(C)=O, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Keto acids and derivatives

ClassyFire Subclass: Gamma-keto acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.138

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Chemical structure download