Structure Database (LMSD)
Common Name
6beta-Hydroxycortisol
Systematic Name
6β,11β,17α,21-Tetrahydroxypregn-4-en-3,20-dione
Synonyms
- 4-pregnene-6beta,11beta,17alpha,21-tetrol-3,20-dione
LM ID
LMST02030269
Formula
Exact Mass
Calculate m/z
378.20424
Sum Composition
Status
Curated
3D model of 6beta-Hydroxycortisol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Reactions
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Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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References
String Representations
InChiKey (Click to copy)
GNFTWPCIRXSCQF-UJXAPRPESA-N
InChi (Click to copy)
InChI=1S/C21H30O6/c1-19-5-3-11(23)7-14(19)15(24)8-12-13-4-6-21(27,17(26)10-22)20(13,2)9-16(25)18(12)19/h7,12-13,15-16,18,22,24-25,27H,3-6,8-10H2,1-2H3/t12-,13-,15+,16-,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@](O)(C(CO)=O)[C@@]1(C)C[C@H](O)[C@]1([H])[C@@]3(C)CCC(=O)C=C3[C@H](O)C[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
4
Aromatic Rings
Rotatable Bonds
2
Van der Waals Molecular Volume
367.24
Topological Polar Surface Area
115.06
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
logP
1.90
Molar Refractivity
98.56
Admin
Created at
10th Aug 2022
Updated at
10th Aug 2022