Summary

IMPPAT Phytochemical identifier: IMPHY017128

Phytochemical name: Dimethyl methylsuccinate

Synonymous chemical names:
dimethyl methylsuccinate

External chemical identifiers:
CID:15350, SureChEMBL:SCHEMBL186433, MolPort-003-927-258

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Chemical structure information

SMILES:
COC(=O)CC(C(=O)OC)C

InChI:
InChI=1S/C7H12O4/c1-5(7(9)11-3)4-6(8)10-2/h5H,4H2,1-3H3

InChIKey:
NFOQJNGQQXICBY-UHFFFAOYSA-N

DeepSMILES:
COC=O)CCC=O)OC)))C

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: 0.638

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Chemical structure download