Structure Database (LMSD)

Common Name
Dehydroepiandrosterone sulfate
Systematic Name
3β-Hydroxyandrost-5-en-17-one 3-sulfate
Synonyms
LM ID
LMST05020010
Formula
C19H28O5S
Exact Mass
Calculate m/z
368.165747
Sum Composition
ST 19:2;O2;S
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroid conjugates [ST05]
Sulfates [ST0502]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

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

Other Databases

Wikipedia
Dehydroepiandrosterone_sulfate
KEGG ID
C04555
HMDB ID
HMDB0001032
CHEBI ID
16814
PubChem CID
12594
SwissLipids ID
SLM:000399874

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