Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015952

Phytochemical name: 4-Ethoxy-4-oxobutanoic acid

Synonymous chemical names:
monoethyl succinate

External chemical identifiers:
CID:CID_70610, ChEBI:CHEBI:88827, ZINC:ZINC000002004473, SureChEMBL:SCHEMBL262913, MolPort-000-900-720

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Chemical structure information

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

InChI:
InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)

InChIKey:
LOLKAJARZKDJTD-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCC=O)O

Functional groups:
COC(C)=O, 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 acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP-Likeness score: 0.165

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Chemical structure download