Summary

IMPPAT Phytochemical identifier: IMPHY017037

Phytochemical name: Dimethyl malate

Synonymous chemical names:
dimethyl malate

External chemical identifiers:
CID:12674, FDASRS:2DXY0K7M4R, SureChEMBL:SCHEMBL205700, MolPort-001-791-669

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Chemical structure information

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

InChI:
InChI=1S/C6H10O5/c1-10-5(8)3-4(7)6(9)11-2/h4,7H,3H2,1-2H3

InChIKey:
YSEKNCXYRGKTBJ-UHFFFAOYSA-N

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

Functional groups:
CO, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Beta hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.182

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Chemical structure download