Chemical Component Summary | |
|---|---|
| Name | 1,4-BUTANEDIOL |
| Identifiers | butane-1,4-diol |
| Formula | C4 H10 O2 |
| Molecular Weight | 90.121 |
| Type | NON-POLYMER |
| Isomeric SMILES | C(CCO)CO |
| InChI | InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 |
| InChIKey | WERYXYBDKMZEQL-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 16 |
| Chiral Atom Count | 0 |
| Bond Count | 15 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB01955? |
|---|---|
| Name | 1,4-Butanediol |
| Groups | experimental |
| Synonyms | 1,4-Butanediol |
| Categories |
|
| CAS number | 110-63-4 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase | MAACEGRRSGALGSSQSDFLTPPVGGAPWAVATTVVMYPPPPPPPHRDFI... | unknown | |
| Phospholipase A2, membrane associated | MKTLLLLAVIMIFGLLQAHGNLVNFHRMIKLTTGKEAALSYGFYGCHCGV... | unknown | |
| Group IIE secretory phospholipase A2 | MKSPHVLVFLCLLVALVTGNLVQFGVMIEKMTGKSALQYNDYGCYCGIGG... | unknown | |
| Ribosomal small subunit pseudouridine synthase A | MRLDKFIAENVGLTRSQATKAIRQSAVKINGEIVKSGSVQISQEDEIYFE... | unknown | |
| Penicillin-insensitive murein endopeptidase | MNKTAIALLALLASSASLAATPWQKITQPVPGSAQSIGSFSNGCIVGADT... | 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 | 8064 |
| ChEMBL | CHEMBL171623 |
| ChEBI | CHEBI:41189 |
| CCDC/CSD | QAKXAE, PAVTAI, MICJOZ, QAYYIZ, EFAVOY, BOKJAO, CIMYIG, DEPSUM, QATTIO |
