Summary

IMPPAT Phytochemical identifier: IMPHY016623

Phytochemical name: Dimethyl 2-oxoglutarate

Synonymous chemical names:
dimethyl 2-oxopentanedioate

External chemical identifiers:
CID:25775, ChEBI:173796, ZINC:ZINC000002019783, SureChEMBL:SCHEMBL9543, MolPort-003-846-897

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Chemical structure information

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

InChI:
InChI=1S/C7H10O5/c1-11-6(9)4-3-5(8)7(10)12-2/h3-4H2,1-2H3

InChIKey:
TXIXSLPEABAEHP-UHFFFAOYSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Keto acids and derivatives

ClassyFire Subclass: Gamma-keto acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.314

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Chemical structure download