COI
2-OXO-4-METHYLPENTANOIC ACID
Find entries where: COI
is present as a standalone ligand in 16 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 3 entries
is present in a polymer sequence 2 entries
Chemical Component Summary | |
|---|---|
| Name | 2-OXO-4-METHYLPENTANOIC ACID |
| Synonyms | alpha-ketoisocaproic acid |
| Identifiers | 4-methyl-2-oxidanylidene-pentanoic acid |
| Formula | C6 H10 O3 |
| Molecular Weight | 130.142 |
| Type | NON-POLYMER |
| Isomeric SMILES | CC(C)CC(=O)C(=O)O |
| InChI | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) |
| InChIKey | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 19 |
| Chiral Atom Count | 0 |
| Bond Count | 18 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB03229? |
|---|---|
| Name | alpha-Ketoisocaproic acid |
| Groups | experimental |
| Synonyms |
|
| Categories | Caproates |
| CAS number | 816-66-0 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Deacetoxycephalosporin C synthase | MDTTVPTFSLAELQQGLHQDEFRRCLRDKGLFYLTDCGLTDTELKSAKDL... | unknown | |
| D-2-hydroxyisocaproate dehydrogenase | MKIIAYGARVDEIQYFKQWAKDTGNTLEYHTEFLDENTVEWAKGFDGINS... | unknown |
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 | 70 |
| ChEMBL | CHEMBL445647 |
| ChEBI | CHEBI:48430 |
