Structure Database (LMSD)
Common Name
11-deoxycortisol
Systematic Name
17,21-dihydroxypregn-4-ene-3,20-dione
Synonyms
LM ID
LMST02030086
Formula
Exact Mass
Calculate m/z
346.21441
Sum Composition
Status
Active
3D model of 11-deoxycortisol
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)
WHBHBVVOGNECLV-OBQKJFGGSA-N
InChi (Click to copy)
InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@](C(=O)CO)(O)CC[C@@]21[H])[H]
References
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
349.66
Topological Polar Surface Area
74.60
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
4
logP
3.38
Molar Refractivity
94.75
Reactions
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Created at
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Updated at
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