Structure Database (LMSD)
Common Name
Dehydroepiandrosterone sulfate
Systematic Name
3β-Hydroxyandrost-5-en-17-one 3-sulfate
Synonyms
LM ID
LMST05020010
Formula
Exact Mass
Calculate m/z
368.165747
Sum Composition
Status
Active
3D model of Dehydroepiandrosterone sulfate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
CZWCKYRVOZZJNM-USOAJAOKSA-N
InChi (Click to copy)
InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CC=C1C[C@H](CC[C@]21C)OS(=O)(=O)O)=O
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
345.00
Topological Polar Surface Area
80.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
5.24
Molar Refractivity
93.55
Admin
Created at
-
Updated at
9th Mar 2023