Structure Database (LMSD)
Common Name
3alpha-androstanediol glucuronide
Systematic Name
Androstane-3α,17β-diol 3-D-glucuronide
Synonyms
- 17beta-Hydroxy-5alpha-androstan-3alpha-yl Beta-D-glucopyranosiduronic acid
LM ID
LMST05010004
Status
Active
Exact Mass
Calculate m/z
468.27232
Formula
Abbrev
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
GYNWSIBKBBWJJW-WWLGJQRMSA-N
InChi (Click to copy)
InChI=1S/C25H40O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-/m0/s1
SMILES (Click to copy)
C1[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
3 alpha, 17 beta-androstanediol glucuronide in plasma. A marker of androgen action in idiopathic hirsutism.,
J Clin Invest, 1982
J Clin Invest, 1982
Pubmed ID:
7068855
DOI:
10.1172/JCI110558
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
33
Rings
5
Aromatic Rings
0
Rotatable Bonds
3
Van der Waals Molecular Volume
446.94
Topological Polar Surface Area
138.75
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
3.67
Molar Refractivity
120.51
Admin
Created at
-
Updated at
13th Sep 2021