Structure Database (LMSD)
Common Name
5-Androstenetriol
Systematic Name
Androst-5-ene-3β,16α,17β-triol
Synonyms
- betaAET
LM ID
LMST02020099
Formula
Exact Mass
Calculate m/z
306.219496
Sum Composition
Status
Curated
3D model of 5-Androstenetriol
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
Biological Context
5-Androstenetriol is a steroid and an active metabolite of dehydroepiandrosterone (DHEA).1 In vivo, 5-androstenetriol (0.75 mg/25 g body weight) reduces radiation-induced lethality and induces hematopoietic recovery from surviving stem cells in mice. It increases survival in a rat model of surgical trauma-induced sepsis when administered at a dose of 40 mg/kg.2 Urinary levels of 5-androstenetriol are increased in women with androgenic alopecia.3
This information has been provided by Cayman Chemical
References
2. Marcu, A.C., Kielar, N.D., Paccione, K.E., et al. Androstenetriol improves survival in a rodent model of traumatic shock. Resuscitation 71(3), 379-386 (2006).
References
String Representations
InChiKey (Click to copy)
GUGSXATYPSGVAY-DHKQUUGRSA-N
InChi (Click to copy)
InChI=1S/C19H30O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-17,20-22H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](O)C[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
311.55
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
3.50
Molar Refractivity
86.64
Admin
Created at
-
Updated at
20th Feb 2025