Summary

IMPPAT Phytochemical identifier: IMPHY015622

Phytochemical name: Dimethyl succinate

Synonymous chemical names:
dimethyl succinate

External chemical identifiers:
CID:7820, ChEMBL:CHEMBL556489, ChEBI:165393, ZINC:ZINC000001683870, FDASRS:914I2127JR, SureChEMBL:SCHEMBL10213, MolPort-000-872-096

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Chemical structure information

SMILES:
COC(=O)CCC(=O)OC

InChI:
InChI=1S/C6H10O4/c1-9-5(7)3-4-6(8)10-2/h3-4H2,1-2H3

InChIKey:
MUXOBHXGJLMRAB-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCC=O)OC

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: 0.072

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Chemical structure download