Showing entry for Sodium Benzoate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0042204
Compound NameSodium Benzoate
Structure
FormulaC7H6O2.Na
InchiKeyWXMKPNITSTVMEF-UHFFFAOYSA-M
SMILES[O-]C(=O)c1ccccc1.[Na+]
InchiInChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
IUPACsodium;benzoate
Molecular Weight121.03
Pubchem Id517055
Chembl IdCHEMBL1356
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
CHEMBL CHEMBL1356
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki '=' 730000 nM
B2GV46 BXGT001957 Free fatty acid receptor 3 reviewed - Ffar3 EC50 - - -
Q5AJ71 BXGT015288 Carbonic anhydrase reviewed - NCE103 Ki '=' 24400 nM
P35218 BXGT009796 Carbonic anhydrase 5A, mitochondrial reviewed - CA5A Ki '=' 7010000 nM
P00918 BXGT005690 Carbonic anhydrase 2 reviewed - CA2 Ki '=' 30000 nM
Q16790 BXGT013670 Carbonic anhydrase 9 reviewed - CA9 Ki '>' 150000000 nM
P00915 BXGT005689 Carbonic anhydrase 1 reviewed - CA1 Ki - - -
P22748 BXGT008802 Carbonic anhydrase 4 reviewed - CA4 Ki '=' 74700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01998 Paeonia rockii Paeonia rockii Others
BXGF02639 Rhododendron ferrugineum Rhododendron ferrugineum Human Edible Plant
BXGF04660 Piper sarmentosum Piper sarmentosum Medicinal Plant
BXGF05203 Chlamydomonas reinhardtii Chlamydomonas reinhardtii Others
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease