+Open data
-Basic information
Entry | Database: PDB chemical components / ID: PLO | ||||
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Name | Name: (Wikipedia | Wikipedia - Pregnenolone: | Pregnenolone , or pregn-5-en-3β-ol-20-one, is an endogenous steroid and precursor/metabolic intermediate in the biosynthesis of most of the steroid hormones, including the progestogens, androgens, estrogens, glucocorticoids, and mineralocorticoids. In addition, pregnenolone is biologically active in its own right, acting as a neurosteroid. In addition to its role as a natural hormone, pregnenolone has been used as a medication and supplement; for information on pregnenolone as a medication or supplement, see the pregnenolone (medication) article. ...Comment | medication, hormone*YM | |
-Chemical information
Composition | Formula: C21H32O2 / Number of atoms: 55 / Formula weight: 316.478 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PLO / Model coordinates PDB-ID: 1Q20 | ||||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / LipidMaps / Metabolights / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | (OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 3 items
PDB-1q20:
Crystal Structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of PAP and pregnenolone
PDB-4j6b:
The 2.2 A crystal structure of CYP154C5 from Nocardia farcinica in complex with pregnenolone
PDB-4nkw:
Human steroidogenic cytochrome P450 17A1 mutant A105L with substrate pregnenolone