Structure Database (LMSD)
Common Name
17alpha-hydroxyprogesterone
Systematic Name
17-hydroxypregn-4-ene-3,20-dione
Synonyms
- 17-hydroxyprogesterone
- 17alpha-Hydroxy-4-pregnene-3,20-dione
- 17alpha-Hydroxy-progesterone
- 17alpha-Hydroxyprogesterone
- Pregn-4-ene-3,20-dione-17-ol
- hydroxyprogesterone
LM ID
LMST02030161
Formula
Exact Mass
Calculate m/z
330.219495
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 17alpha-hydroxyprogesterone
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)
DBPWSSGDRRHUNT-CEGNMAFCSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES (Click to copy)
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C)[C@@]([H])(CC[C@@]4(C(C)=O)O)[C@]13[H])CCC(=O)C=2
References
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
340.87
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
4.12
Molar Refractivity
92.85
Reactions
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Created at
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Updated at
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