pyruvic acid   Click here for help

GtoPdb Ligand ID: 4809

Synonyms: pyruvate
PDB Ligand
Compound class: Metabolite
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 54.37
Molecular weight 88.02
XLogP -0.43
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(=O)C
Isomeric SMILES OC(=O)C(=O)C
InChI InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChI Key LCTONWCANYUPML-UHFFFAOYSA-N
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InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel