BAL
BETA-ALANINE
Find entries where: BAL
is present as a standalone ligand in 11 entries
as a non-polymer is covalently linked to polymer or other heterogen groups 3 entries
is present in a polymer sequence 57 entries
Chemical Component Summary | |
|---|---|
| Name | BETA-ALANINE |
| Identifiers | 3-azanylpropanoic acid |
| Formula | C3 H7 N O2 |
| Molecular Weight | 89.093 |
| Type | PEPTIDE-LIKE |
| Isomeric SMILES | C(CN)C(=O)O |
| InChI | InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6) |
| InChIKey | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 13 |
| Chiral Atom Count | 0 |
| Bond Count | 12 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB03107 |
|---|---|
| Name | beta-Alanine |
| Groups | experimental |
| Description | beta-Alanine is an amino acid formed in vivo by the degradation of [dihydrouracil] and [carnosine]. Since neuronal uptake and neuronal receptor sensitivity to beta-alanine have been demonstrated, the compound may be a false transmitter replacing GAMMA-AMINOBUTYRIC ACID. A rare genetic disorder, hyper-beta-alaninemia, has been reported. |
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| CAS number | 107-95-9 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Pantothenate synthetase | MTIPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLAL... | unknown | |
| Monocarboxylate transporter 10 | MVLSQEEPDSARGTSEAQPLGPAPTGAAPPPGPGPSDSPEAAVEKVEVEL... | unknown | substrate |
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 | 4755801, 239 |
| ChEMBL | CHEMBL297569 |
| ChEBI | CHEBI:57966, CHEBI:16958 |
| CCDC/CSD | NUWGUK, NUWGOE, NUWGIY, BALNIN06, NAYLUV, BALNIN07, NAYLOP, BALNIN08, MIFRAU, LUNKEK, NUWGAQ, TIJMEE, AJIQES, BALNIN02, CUKCET, BEHXIV01, QUCROY, BALNIN01, JAFHON, MIFRAU01, EDASUX, KILHOF, KUXWIM, RAHGEO, PIJNOL, HUJQIM, QEVHOO, AJIRAP, AJIQAO, BAWQIZ, VAGVEF, NUWGEU, TEMVAL, AJIKUC, AJILIR, UKELUR, BALNIN03, BALACF, ABEQUU, RAYVOE, HUJPOR, BALNIN05, ELIGEO, MACMOW, MIFRAU02, ILIZIP |
| COD | 7205613, 7219427, 7219428, 7219430, 7219429 |
