Summary

IMPPAT Phytochemical identifier: IMPHY016994

Phytochemical name: Methyl pyruvate

Synonymous chemical names:
methyl pyruvate

External chemical identifiers:
CID:11748, ChEMBL:CHEMBL3185405, ChEBI:51850, ZINC:ZINC000001692440, FDASRS:3KJM65G5XL, SureChEMBL:SCHEMBL27432, MolPort-001-780-245

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Chemical structure information

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

InChI:
InChI=1S/C4H6O3/c1-3(5)4(6)7-2/h1-2H3

InChIKey:
CWKLZLBVOJRSOM-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=O)C

Functional groups:
COC(=O)C(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: Alpha-keto acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.589

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Chemical structure download