Showing entry for Sodium 2-Methylhexanoate


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0033645
Compound NameSodium 2-Methylhexanoate
Structure
FormulaC7H14O2
InchiKeyCVKMFSAVYPAZTQ-UHFFFAOYSA-M
SMILES[O-]C(=O)C(CCCC)C
InchiInChI=1S/C7H14O2/c1-3-4-5-6(2)7(8)9/h6H,3-5H2,1-2H3,(H,8,9)/p-1
IUPAC2-methylhexanoate
Molecular Weight129.09
Pubchem Id22173957
Chembl Id
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 50340063
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
reviewed BXGT005689 Carbonic anhydrase 1 reviewed CA1 380000 - - -
reviewed BXGT005690 Carbonic anhydrase 2 reviewed CA2 103000 - - -
CHEMBL n.a
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
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF01134 Arnebia euchroma Arnebia euchroma Medicinal Plant
BXGF01230 Lithospermum erythrorhizon Lithospermum erythrorhizon Medicinal Plant
BXGF03053 Arnebia guttata Arnebia guttata Medicinal Plant
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