pyruvic acid   Click here for help

GtoPdb Ligand ID: 4809

Synonyms: pyruvate
PDB Ligand
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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
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
2-oxopropanoic acid
Synonyms Click here for help
pyruvate
Database Links Click here for help
CAS Registry No. 127-17-3 (source: Scifinder)
ChEBI CHEBI:32816
ChEMBL Ligand CHEMBL1162144
DrugBank Ligand DB00119
GtoPdb PubChem SID 178101511
PubChem CID 1060
RCSB PDB Ligand PYR
Search Google for chemical match using the InChIKey LCTONWCANYUPML-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LCTONWCANYUPML
Search UniChem for chemical match using the InChIKey LCTONWCANYUPML-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone LCTONWCANYUPML
Wikipedia Pyruvic_acid