+Open data
-Basic information
Entry | Database: PDB chemical components / ID: MPB | ||
---|---|---|---|
Name | Name: Wikipedia | Wikipedia - Methylparaben: Methylparaben one of the parabens, is a preservative with the chemical formula CH3(C6H4(OH)COO). It is the methyl ester of p-hydroxybenzoic acid.
| |
-Chemical information
Composition | Formula: C8H8O3 / Number of atoms: 19 / Formula weight: 152.147 / Formal charge: 0 | ||||
---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: MPB / Model coordinates PDB-ID: 3MTH | ||||
History |
| ||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
---|
-InChI
InChI 1.03 |
---|
-InChIKey
InChI 1.03 |
---|
-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
---|
-PDB entries
Showing all 4 items
PDB-2vk0:
Crystal structure form ultalente insulin microcrystals
PDB-3mth:
X-RAY CRYSTALLOGRAPHIC STUDIES ON HEXAMERIC INSULINS IN THE PRESENCE OF HELIX-STABILIZING AGENTS, THIOCYANATE, METHYLPARABEN AND PHENOL
PDB-7cia:
Crystal structure of P.aeruginosa LpxC in complex with inhibitor
PDB-7dqu:
E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate