Structure Database (LMSD)

Common Name
18-Hydroxycorticosterone
Systematic Name
11β,18,21-trihydroxy-pregn-4-ene-3,20-dione
Synonyms
LM ID
LMST02030091
Status
Active
Exact Mass
Calculate m/z
362.209325
Formula
C21H30O5
Abbrev
ST 21:3;O5
Show lipids differing only in stereochemistry/bond geometry
Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

String Representations

InChiKey (Click to copy)
HFSXHZZDNDGLQN-ZVIOFETBSA-N
InChi (Click to copy)
InChI=1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
SMILES (Click to copy)
[C@]12(CO)C[C@@H]([C@]3([H])[C@@]4(C)CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(CO)=O)O

References

Other Databases

Wikipedia
18-Hydroxycorticosterone
KEGG ID
C01124
HMDB ID
HMDB0000319
CHEBI ID
16485
PubChem CID
11222

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 358.45
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.50
Molar Refractivity 96.59

Reactions

Filter by species:
ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

Admin

Created at
-
Updated at
-