succinic acid   Click here for help

GtoPdb Ligand ID: 3637

Synonyms: succinate
PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 74.6
Molecular weight 118.03
XLogP -0.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCC(=O)O
Isomeric SMILES OC(=O)CCC(=O)O
InChI InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key KDYFGRWQOYBRFD-UHFFFAOYSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
butanedioic acid
Synonyms Click here for help
succinate
Database Links Click here for help
CAS Registry No. 110-15-6 (source: Scifinder)
ChEBI CHEBI:15741
ChEMBL Ligand CHEMBL576
DrugBank Ligand DB00139
DrugCentral Ligand 2487
GtoPdb PubChem SID 178100544
PubChem CID 1110
RCSB PDB Ligand SIN
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Wikipedia Succinic_acid