Summary

IMPPAT Phytochemical identifier: IMPHY015613

Phytochemical name: Diethyl succinate

Synonymous chemical names:
diethyl butanedioate, diethyl succinate, ethyl succinate*

External chemical identifiers:
CID:31249, ChEMBL:CHEMBL369243, ChEBI:169507, ZINC:ZINC000001648294, FDASRS:ELP55C13DR, SureChEMBL:SCHEMBL22780, MolPort-000-872-086

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Chemical structure information

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

InChI:
InChI=1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

InChIKey:
DKMROQRQHGEIOW-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCC=O)OCC

Functional groups:
COC(C)=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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: -0.153

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Chemical structure download