Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001956

Phytochemical name: Pyruvic acid

Synonymous chemical names:
pyruvic acid

External chemical identifiers:
CID:CID_1060, ChEMBL:CHEMBL1162144, ChEBI:CHEBI:32816, ZINC:ZINC000001532517, FDASRS:8558G7RUTR, SureChEMBL:SCHEMBL1750, MolPort-001-779-763

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Chemical structure information

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

InChI:
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

InChIKey:
LCTONWCANYUPML-UHFFFAOYSA-N

DeepSMILES:
OC=O)C=O)C

Functional groups:
CC(=O)C(=O)O

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS098203, MSBNK-RIKEN_ReSpect-PS098202, MSBNK-RIKEN_ReSpect-PS098201, MSBNK-RIKEN_ReSpect-PS007802, MSBNK-RIKEN_ReSpect-PS007801, MSBNK-Keio_Univ-KO001593, MSBNK-Keio_Univ-KO001594, MSBNK-Keio_Univ-KO001592, MSBNK-Keio_Univ-KO001591, MSBNK-Keio_Univ-KO001590, MSBNK-Osaka_Univ-OUF00439

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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 Acids and Conjugates

NP Classifier Class: Oxo fatty acids

NP-Likeness score: 0.612

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Chemical structure download