+Open data
-Basic information
Entry | Database: PDB chemical components / ID: JN3 | ||
---|---|---|---|
Name | Name: Synonyms: (3ALPHA,5ALPHA,7BETA,8ALPHA,17ALPHA)-3,7-DIHYDROXYCHOLAN-24-OIC ACID Wikipedia | Wikipedia - Chenodeoxycholic acid: | Chenodeoxycholic acid (CDCA; also known as chenodesoxycholic acid, chenocholic acid and 3α,7α-dihydroxy-5β-cholan-24-oic acid) is a bile acid. Salts of this carboxylic acid are called chenodeoxycholates... |
-Chemical information
Composition | Formula: C24H40O4 / Number of atoms: 68 / Formula weight: 392.572 / Formal charge: 0 | ||||||
---|---|---|---|---|---|---|---|
Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: JN3 / Ideal coordinates details: OpenEye/OEToolkits V1.4.2 | ||||||
History |
| ||||||
External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / 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 6 items
PDB-2jn3:
NMR structure of cl-BABP complexed to chenodeoxycholic acid
PDB-3o02:
The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Chenodeoxycholate
PDB-6hl1:
Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA
PDB-6ie9:
RamR in complex with chenodeoxycholic acid
PDB-7svg:
Bile Salt Hydrolase A from Lactobacillus gasseri with chenodeoxycholate and taurine bound
PDB-8dml:
Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate