Structure Database (LMSD)

Common Name
Cortisol
Systematic Name
11β,17,21-trihydroxypregn-4-ene-3,20-dione
Synonyms
  • Cortisol
LM ID
LMST02030001
Status
Active
Exact Mass
Calculate m/z
362.209325
Formula
C21H30O5
Abbrev
ST 21:3;O5
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MDLMOL SDF CSV TSV
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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)
JYGXADMDTFJGBT-VWUMJDOOSA-N
InChi (Click to copy)
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@]12(CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])[C@@H](O)C[C@]1(C)[C@](C(=O)CO)(O)CC[C@@]21[H])[H]

References

Other Databases

Wikipedia
Cortisol
KEGG ID
C00735
HMDB ID
HMDB0000063
CHEBI ID
17650
LIPIDBANK ID
SST0244
PubChem CID
5754
SwissLipids ID
SLM:000485329
Cayman ID
20739

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 358.45
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 2.64
Molar Refractivity 96.66

Reactions

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Created at
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Updated at
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