Structure Database (LMSD)
Common Name
Tetrahydrocortisol
Systematic Name
3α,11β,17,21-tetrahydroxy-5β-pregnan-20-one
Synonyms
- Urocortisol
- 5b-Tetrahydrocortisol
LM ID
LMST02030143
Formula
Exact Mass
Calculate m/z
366.240625
Sum Composition
Status
Active
3D model of Tetrahydrocortisol
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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String Representations
InChiKey (Click to copy)
AODPIQQILQLWGS-GXBDJPPSSA-N
InChi (Click to copy)
InChI=1S/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-16,18,22-24,26H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18-,19+,20+,21+/m1/s1
SMILES (Click to copy)
C[C@@]12[C@]3([H])[C@]([H])([C@@]4([H])[C@@](C[C@@H]3O)(C)[C@](C(CO)=O)(O)CC4)CC[C@]1([H])C[C@H](O)CC2
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
26
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
363.73
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
2.80
Molar Refractivity
98.19
Admin
Created at
-
Updated at
9th Jun 2022