succinic acid   

GtoPdb Ligand ID: 3637

Synonyms: succinate
2D Structure
Click here for structure editor
Physico-chemical Properties
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
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
Compound class Metabolite or derivative
IUPAC Name
butanedioic acid
Synonyms
succinate
Database Links
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
Search Google for chemical match using the InChIKey KDYFGRWQOYBRFD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KDYFGRWQOYBRFD
Search UniChem for chemical match using the InChIKey KDYFGRWQOYBRFD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KDYFGRWQOYBRFD
Wikipedia Succinic_acid