BUA
butanoic acid
Find entries where: BUA
is present as a standalone ligand in 29 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 4 entries
Chemical Component Summary | |
|---|---|
| Name | butanoic acid |
| Identifiers | butanoic acid |
| Formula | C4 H8 O2 |
| Molecular Weight | 88.105 |
| Type | NON-POLYMER |
| Isomeric SMILES | CCCC(=O)O |
| InChI | InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6) |
| InChIKey | FERIUCNNQQJTOY-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 14 |
| Chiral Atom Count | 0 |
| Bond Count | 13 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB03568? |
|---|---|
| Name | Butyric Acid |
| Groups |
|
| Description | A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester. |
| Synonyms |
|
| Brand Names | Sodium Butyrate |
| Categories |
|
| CAS number | 107-92-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| (S)-2-haloacid dehalogenase | MDYIKGIAFDLYGTLFDVHSVVGRCDEAFPGRGREISALWRQKQLEYTWL... | unknown | |
| Cholinesterase | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG... | unknown | |
| 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase | MANLEIGKSILAAGVLTNYHDVGEGQPVILIHGSGPGVSAYANWRLTIPA... | unknown | |
| Cholinesterase | MHSKVTIICIRFLFWFLLLCMLIGKSHTEDDIIIATKNGKVRGMNLTVFG... | unknown | ligand |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 264 |
| ChEMBL | CHEMBL14227 |
| ChEBI | CHEBI:30772 |
| CCDC/CSD | KODVAB, LUNYOI, PAWSOX, PIDKAQ, UNEZUI, LEPCES01, LEPCIW01, LEPCES, LEPCIW |
| COD | 7103923 |
