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Showing metabocard for Cortisol (HMDB0000063)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (16)transporters (3) Show 19 proteinsXML
enzymes (16)transporters (3) Show 19 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:48:59 UTC
HMDB IDHMDB0000063
Secondary Accession Numbers
  • HMDB00063
  • HMDB0014879
  • HMDB14879
Metabolite Identification
Common NameCortisol
DescriptionCortisol is the main glucocorticoid secreted by the adrenal cortex and it is involved in the stress response. Its synthetic counterpart hydrocortisone is used, either as an injection or topically, in the treatment of inflammation, allergy, collagen diseases, asthma, adrenocortical deficiency, shock, and some neoplastic conditions. Hydrocortisone is synthesized from pregnenolone and is used as an immunosuppressive drug given by injection in the treatment of severe allergic reactions such as anaphylaxis and angioedema, in place of prednisolone in patients who need steroid treatment but cannot take oral medication, and peri-operatively in patients on long-term steroid treatment to prevent an Addisonian crisis. Cortisol increases blood pressure, blood sugar levels, may cause infertility in women, and suppresses the immune system. The amount of cortisol present in the serum undergoes diurnal variation, with the highest levels present in the early morning and lower levels in the evening, several hours after the onset of sleep. Cortisol is found to be associated with ACTH deficiency and glucocorticoid deficiency, which are inborn errors of metabolism. Cortisol binds to the cytosolic glucocorticoid receptor. After binding the receptor, the newly formed receptor-ligand complex translocates itself into the cell nucleus where it binds to many glucocorticoid response elements (GRE) in the promoter region of the target genes. The DNA-bound receptor then interacts with basic transcription factors, causing the increase in expression of specific target genes. The anti-inflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Specifically, glucocorticoids induce lipocortin-1 (annexin-1) synthesis, which then binds to cell membranes and prevents phospholipase A2 from coming into contact with its substrate arachidonic acid. This leads to diminished eicosanoid production. The cyclooxygenase (both COX-1 and COX-2) expression is also suppressed, potentiating the effect. In other words, the two main products of inflammation, prostaglandins and leukotrienes, are inhibited by the action of glucocorticoids. Glucocorticoids also stimulate the escape of lipocortin-1 into the extracellular space, where it binds to the leukocyte membrane receptors and inhibits various inflammatory events: epithelial adhesion, emigration, chemotaxis, phagocytosis, respiratory burst, and the release of various inflammatory mediators (lysosomal enzymes, cytokines, tissue plasminogen activator, chemokines, etc.) from neutrophils, macrophages, and mastocytes. Additionally, the immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding.
Structure
Data?1582752110
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000063 (Cortisol)

            
  Mrv1652303182019232D          

 29 32  0  0  0  0            999 V2000
10001.078110001.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.938710000.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.940610000.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7988 9997.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6533 9998.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10000.366610000.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10001.0781 9998.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2275 9999.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5130 9999.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5130 9998.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2275 9997.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9395 9999.1793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9395 9998.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6540 9997.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3685 9998.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.366410000.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.651910000.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.6519 9999.6010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3664 9999.1886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.080910000.4259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0809 9999.6011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.8655 9999.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.350410000.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.865510000.6810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.865510001.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.579210001.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.149910001.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.579210001.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.578710002.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10  4  2  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12  3  1  1  0  0  0
 17  2  1  1  0  0  0
 18 12  1  0  0  0  0
 15 19  1  0  0  0  0
 18  5  1  6  0  0  0
 19  6  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 24 20  1  0  0  0  0
 24 23  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21  7  1  6  0  0  0
 20  1  1  1  0  0  0
 26 29  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000063 (Cortisol)

HMDB0000063
     RDKit          3D
Cortisol
 56 59  0  0  0  0  0  0  0  0999 V2000
    2.1566    0.1949   -1.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201   -0.1811   -0.1736 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1065   -1.4970   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -1.4537   -0.5573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3811   -1.5833   -1.9217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964   -0.3267    0.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3595    1.0030   -0.2175 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1688    2.1448    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543    1.7075    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    0.7372    0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3758    0.7148    1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2456   -0.2523    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4646   -0.0562    0.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6789   -1.4853   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -1.5707    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -0.2453   -0.2393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9816    0.2005   -1.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    0.8302    0.4916 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7909    1.9826    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634    1.2844    1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041   -0.0964    0.7531 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8178   -1.0921    1.7194 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -0.2362    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012    0.5058   -0.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101   -1.3452    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3826   -1.3142   -0.2937 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    1.1712   -1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.1273   -2.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456   -0.5344   -2.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762   -1.7850    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141   -2.3002   -0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936   -2.4008   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9445   -2.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -0.4632    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    1.1274   -1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203    2.9295    0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7419    2.6631   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714    1.2630    2.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602    2.6008    1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545    1.4217    1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370   -1.4910   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816   -2.3714    0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8086   -2.3819   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350   -1.7849    1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.6573   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    0.9418   -2.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9752    0.7259   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889    0.3837    1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1166    2.4921   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    2.7203    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    1.8352    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303    1.1730    2.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963   -0.9419    2.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085   -1.2986    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7327   -2.3385    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -0.4526   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
  7 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 18  2  1  0
 21  2  1  0
 16  6  1  0
 16 10  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  1
  5 33  1  0
  6 34  1  1
  7 35  1  6
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 11 40  1  0
 14 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 17 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  1
 19 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 22 53  1  0
 25 54  1  0
 25 55  1  0
 26 56  1  0
M  END
Download

3D SDF for HMDB0000063 (Cortisol)

            
  Mrv1652303182019232D          

 29 32  0  0  0  0            999 V2000
10001.078110001.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.938710000.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.940610000.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.7988 9997.9394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6533 9998.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10000.366610000.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
10001.0781 9998.7729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2275 9999.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5130 9999.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5130 9998.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2275 9997.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9395 9999.1793    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.9395 9998.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6540 9997.9418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3685 9998.3542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.366410000.8385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.651910000.4261    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.6519 9999.6010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3664 9999.1886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.080910000.4259    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.0809 9999.6011    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.8655 9999.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.350410000.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.865510000.6810    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.865510001.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.579210001.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.149910001.9185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.579210001.0935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.578710002.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10  4  2  0  0  0  0
  8 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12  3  1  1  0  0  0
 17  2  1  1  0  0  0
 18 12  1  0  0  0  0
 15 19  1  0  0  0  0
 18  5  1  6  0  0  0
 19  6  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 28  1  6  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 24 20  1  0  0  0  0
 24 23  1  0  0  0  0
 16 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21  7  1  6  0  0  0
 20  1  1  1  0  0  0
 26 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000063

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

> <INCHI_IDENTIFIER>
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

> <INCHI_KEY>
JYGXADMDTFJGBT-VWUMJDOOSA-N

> <FORMULA>
C21H30O5

> <MOLECULAR_WEIGHT>
362.4599

> <EXACT_MASS>
362.20932407

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
39.44944821309214

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

> <ALOGPS_LOGP>
1.79

> <JCHEM_LOGP>
1.2751664346666671

> <ALOGPS_LOGS>
-3.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.86524229374907

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.58472695897974

> <JCHEM_PKA_STRONGEST_BASIC>
-2.846864231895191

> <JCHEM_POLAR_SURFACE_AREA>
94.83000000000001

> <JCHEM_REFRACTIVITY>
97.39999999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.99e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000063 (Cortisol)

HMDB0000063
     RDKit          3D
Cortisol
 56 59  0  0  0  0  0  0  0  0999 V2000
    2.1566    0.1949   -1.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8201   -0.1811   -0.1736 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1065   -1.4970   -0.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3256   -1.4537   -0.5573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3811   -1.5833   -1.9217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964   -0.3267    0.0309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3595    1.0030   -0.2175 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1688    2.1448    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1543    1.7075    1.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0936    0.7372    0.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3758    0.7148    1.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2456   -0.2523    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4646   -0.0562    0.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6789   -1.4853   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1732   -1.5707    0.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5311   -0.2453   -0.2393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9816    0.2005   -1.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9126    0.8302    0.4916 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7909    1.9826    0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9634    1.2844    1.3777 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0041   -0.0964    0.7531 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8178   -1.0921    1.7194 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -0.2362    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7012    0.5058   -0.8030 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101   -1.3452    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3826   -1.3142   -0.2937 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    1.1712   -1.6741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2139    0.1273   -2.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456   -0.5344   -2.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0762   -1.7850    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141   -2.3002   -0.6505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7936   -2.4008   -0.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9083   -0.9445   -2.4158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0027   -0.4632    1.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248    1.1274   -1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5203    2.9295    0.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7419    2.6631   -0.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6714    1.2630    2.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7602    2.6008    1.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545    1.4217    1.7806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8370   -1.4910   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1816   -2.3714    0.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8086   -2.3819   -0.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0350   -1.7849    1.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2708   -0.6573   -2.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3433    0.9418   -2.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9752    0.7259   -1.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6889    0.3837    1.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1166    2.4921   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    2.7203    1.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    1.8352    1.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7303    1.1730    2.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3963   -0.9419    2.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5085   -1.2986    1.5216 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7327   -2.3385    0.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798   -0.4526   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
  7 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  1
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 18  2  1  0
 21  2  1  0
 16  6  1  0
 16 10  1  0
  1 27  1  0
  1 28  1  0
  1 29  1  0
  3 30  1  0
  3 31  1  0
  4 32  1  1
  5 33  1  0
  6 34  1  1
  7 35  1  6
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 11 40  1  0
 14 41  1  0
 14 42  1  0
 15 43  1  0
 15 44  1  0
 17 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  1
 19 49  1  0
 19 50  1  0
 20 51  1  0
 20 52  1  0
 22 53  1  0
 25 54  1  0
 25 55  1  0
 26 56  1  0
M  END
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PDB for HMDB0000063 (Cortisol)

HEADER    PROTEIN                                 18-MAR-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-MAR-20         0                                  
HETATM    1  C   UNK     0    8668.6798669.014   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8664.6868668.240   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8664.6898666.681   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8660.6918662.820   0.000  0.00  0.00           O+0
HETATM    5  H   UNK     0    8666.0198664.376   0.000  0.00  0.00           H+0
HETATM    6  H   UNK     0    8667.3518666.681   0.000  0.00  0.00           H+0
HETATM    7  H   UNK     0    8668.6798664.376   0.000  0.00  0.00           H+0
HETATM    8  C   UNK     0    8663.3588665.905   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8662.0248665.135   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8662.0248663.595   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8663.3588662.825   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8664.6878665.135   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8664.6878663.595   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8666.0218662.825   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8667.3558663.595   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8667.3518668.232   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8666.0178667.462   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8666.0178665.922   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8667.3518665.152   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8668.6848667.462   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8668.6848665.922   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8670.1498665.446   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8671.0548666.692   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0    8670.1498667.938   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0    8670.1498669.478   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8671.4818670.248   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0    8668.8138670.248   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0    8671.4818668.708   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0    8671.4808671.788   0.000  0.00  0.00           O+0
CONECT    1   20                                                            
CONECT    2   17                                                            
CONECT    3   12                                                            
CONECT    4   10                                                            
CONECT    5   18                                                            
CONECT    6   19                                                            
CONECT    7   21                                                            
CONECT    8    9   12                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11    4                                                  
CONECT   11   10   13                                                       
CONECT   12   13    8    3   18                                             
CONECT   13   12   14   11                                                  
CONECT   14   13   15                                                       
CONECT   15   14   19                                                       
CONECT   16   17   20                                                       
CONECT   17   16   18    2                                                  
CONECT   18   17   19   12    5                                             
CONECT   19   18   15    6   21                                             
CONECT   20   21   24   16    1                                             
CONECT   21   20   22   19    7                                             
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   25   28   20   23                                             
CONECT   25   24   26   27                                                  
CONECT   26   25   29                                                       
CONECT   27   25                                                            
CONECT   28   24                                                            
CONECT   29   26                                                            
MASTER        0    0    0    0    0    0    0    0   29    0   64    0
END
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3D PDB for HMDB0000063 (Cortisol)

COMPND    HMDB0000063
HETATM    1  C1  UNL     1       2.157   0.195  -1.597  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.820  -0.181  -0.174  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.106  -1.497  -0.096  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.326  -1.454  -0.557  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.381  -1.583  -1.922  1.00  0.00           O  
HETATM    6  C5  UNL     1      -1.096  -0.327   0.031  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.359   1.003  -0.218  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.169   2.145   0.350  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.154   1.708   1.386  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.094   0.737   0.765  1.00  0.00           C  
HETATM   11  C10 UNL     1      -4.376   0.715   1.064  1.00  0.00           C  
HETATM   12  C11 UNL     1      -5.246  -0.252   0.428  1.00  0.00           C  
HETATM   13  O2  UNL     1      -6.465  -0.056   0.364  1.00  0.00           O  
HETATM   14  C12 UNL     1      -4.679  -1.485  -0.151  1.00  0.00           C  
HETATM   15  C13 UNL     1      -3.173  -1.571   0.085  1.00  0.00           C  
HETATM   16  C14 UNL     1      -2.531  -0.245  -0.239  1.00  0.00           C  
HETATM   17  C15 UNL     1      -2.982   0.200  -1.578  1.00  0.00           C  
HETATM   18  C16 UNL     1       0.913   0.830   0.492  1.00  0.00           C  
HETATM   19  C17 UNL     1       1.791   1.983   0.711  1.00  0.00           C  
HETATM   20  C18 UNL     1       2.963   1.284   1.378  1.00  0.00           C  
HETATM   21  C19 UNL     1       3.004  -0.096   0.753  1.00  0.00           C  
HETATM   22  O3  UNL     1       2.818  -1.092   1.719  1.00  0.00           O  
HETATM   23  C20 UNL     1       4.310  -0.236   0.068  1.00  0.00           C  
HETATM   24  O4  UNL     1       4.701   0.506  -0.803  1.00  0.00           O  
HETATM   25  C21 UNL     1       5.210  -1.345   0.455  1.00  0.00           C  
HETATM   26  O5  UNL     1       6.383  -1.314  -0.294  1.00  0.00           O  
HETATM   27  H1  UNL     1       2.644   1.171  -1.674  1.00  0.00           H  
HETATM   28  H2  UNL     1       1.214   0.127  -2.183  1.00  0.00           H  
HETATM   29  H3  UNL     1       2.846  -0.534  -2.070  1.00  0.00           H  
HETATM   30  H4  UNL     1       1.076  -1.785   0.995  1.00  0.00           H  
HETATM   31  H5  UNL     1       1.614  -2.300  -0.651  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.794  -2.401  -0.144  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.908  -0.945  -2.416  1.00  0.00           H  
HETATM   34  H8  UNL     1      -1.003  -0.463   1.155  1.00  0.00           H  
HETATM   35  H9  UNL     1      -0.325   1.127  -1.300  1.00  0.00           H  
HETATM   36  H10 UNL     1      -0.520   2.929   0.801  1.00  0.00           H  
HETATM   37  H11 UNL     1      -1.742   2.663  -0.454  1.00  0.00           H  
HETATM   38  H12 UNL     1      -1.671   1.263   2.284  1.00  0.00           H  
HETATM   39  H13 UNL     1      -2.760   2.601   1.662  1.00  0.00           H  
HETATM   40  H14 UNL     1      -4.755   1.422   1.781  1.00  0.00           H  
HETATM   41  H15 UNL     1      -4.837  -1.491  -1.244  1.00  0.00           H  
HETATM   42  H16 UNL     1      -5.182  -2.371   0.287  1.00  0.00           H  
HETATM   43  H17 UNL     1      -2.809  -2.382  -0.570  1.00  0.00           H  
HETATM   44  H18 UNL     1      -3.035  -1.785   1.165  1.00  0.00           H  
HETATM   45  H19 UNL     1      -3.271  -0.657  -2.254  1.00  0.00           H  
HETATM   46  H20 UNL     1      -2.343   0.942  -2.079  1.00  0.00           H  
HETATM   47  H21 UNL     1      -3.975   0.726  -1.442  1.00  0.00           H  
HETATM   48  H22 UNL     1       0.689   0.384   1.509  1.00  0.00           H  
HETATM   49  H23 UNL     1       2.117   2.492  -0.230  1.00  0.00           H  
HETATM   50  H24 UNL     1       1.426   2.720   1.458  1.00  0.00           H  
HETATM   51  H25 UNL     1       3.910   1.835   1.232  1.00  0.00           H  
HETATM   52  H26 UNL     1       2.730   1.173   2.459  1.00  0.00           H  
HETATM   53  H27 UNL     1       3.396  -0.942   2.508  1.00  0.00           H  
HETATM   54  H28 UNL     1       5.509  -1.299   1.522  1.00  0.00           H  
HETATM   55  H29 UNL     1       4.733  -2.338   0.214  1.00  0.00           H  
HETATM   56  H30 UNL     1       6.880  -0.453  -0.148  1.00  0.00           H  
CONECT    1    2   27   28   29
CONECT    2    3   18   21
CONECT    3    4   30   31
CONECT    4    5    6   32
CONECT    5   33
CONECT    6    7   16   34
CONECT    7    8   18   35
CONECT    8    9   36   37
CONECT    9   10   38   39
CONECT   10   11   11   16
CONECT   11   12   40
CONECT   12   13   13   14
CONECT   14   15   41   42
CONECT   15   16   43   44
CONECT   16   17
CONECT   17   45   46   47
CONECT   18   19   48
CONECT   19   20   49   50
CONECT   20   21   51   52
CONECT   21   22   23
CONECT   22   53
CONECT   23   24   24   25
CONECT   25   26   54   55
CONECT   26   56
END
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SMILES for HMDB0000063 (Cortisol)

[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
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INCHI for HMDB0000063 (Cortisol)

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
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(11beta)-11,17,21-Trihydroxypregn-4-ene-3,20-dioneChEBI
11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dioneChEBI
11beta-HydrocortisoneChEBI
17-HydroxycorticosteroneChEBI
4-Pregnen-11beta,17alpha,21-triol-3,20-dioneChEBI
HidrocortisonaChEBI
HydrocortisoneChEBI
HydrocortisonumChEBI
Kendall's compound FChEBI
Reichstein's substance mChEBI
HCKegg
ActicortKegg
Anusol HCKegg
ColocortKegg
CortefKegg
HytoneKegg
PlenadrenKegg
(11b)-11,17,21-Trihydroxypregn-4-ene-3,20-dioneGenerator
(11Β)-11,17,21-trihydroxypregn-4-ene-3,20-dioneGenerator
11b,17a,21-Trihydroxy-4-pregnene-3,20-dioneGenerator
11Β,17α,21-trihydroxy-4-pregnene-3,20-dioneGenerator
11b-HydrocortisoneGenerator
11Β-hydrocortisoneGenerator
4-Pregnen-11b,17a,21-triol-3,20-dioneGenerator
4-Pregnen-11β,17α,21-triol-3,20-dioneGenerator
11beta-HydroxycortisoneHMDB
17alpha-HydroxycorticosteroneHMDB
Anti-inflammatory hormoneHMDB
DihydrocostisoneHMDB
HydrocorticosteroneHMDB
Hydrocortisone acetateHMDB
Hydrocortisone alcoholHMDB
Hydrocortisone baseHMDB
Hydrocortisone butyrateHMDB
Hydrocortisone free alcoholHMDB
Hydrocortisone sodium phosphateHMDB
Hydrocortisone valerateHMDB
HydroxycortisoneHMDB
IdrocortisoneHMDB
Balneol-HCChEMBL, HMDB
CORTRILChEMBL, HMDB, MeSH
CetacortChEMBL, HMDB
Cort-domeChEMBL, HMDB
FlexicortChEMBL, HMDB
Hi-corChEMBL, HMDB
Hydrocortisone in absorbaseChEMBL, HMDB
Nogenic HCChEMBL, HMDB
Aeroseb-HCChEMBL, HMDB
Ala-cortChEMBL, HMDB
Ala-scalpChEMBL, HMDB
PenecortChEMBL, HMDB
TexacortChEMBL, HMDB
H-CortChEMBL, HMDB
HYDROCORTONEChEMBL, HMDB
OphthocortChEMBL, HMDB
Terra-cortrilChEMBL, HMDB
Cor-oticinChEMBL, HMDB
NutracortChEMBL, HMDB
CortifoamChEMBL, HMDB
GlycortChEMBL, HMDB
HC #1ChEMBL, HMDB
HC #4ChEMBL, HMDB
ProctocortChEMBL, HMDB
Anucort-HCChEMBL, HMDB
CortenemaChEMBL, HMDB
DermacortChEMBL, HMDB
Micort-HCChEMBL, HMDB
SynacortChEMBL, HMDB
U-cortChEMBL, HMDB
EldecortChEMBL, HMDB
EpicortChEMBL, HMDB
neo-CortefChEMBL, HMDB
Stie-cortChEMBL, HMDB
Anusol-HCChEMBL, HMDB
Beta-HCChEMBL, HMDB
hydro-RXChEMBL, HMDB
LocoidChEMBL, HMDB
b-HCGenerator, HMDB
β-HCGenerator, HMDB
11-beta-HydrocortisoneHMDB
11-beta-HydroxycortisoneHMDB
11-HydrocortisoneHMDB
11a-HydroxycorticosteroneHMDB
11alpha-HydroxycorticosteroneHMDB
11b,17,21-TrihydroxyprogesteroneHMDB
11b-HydroxycortisoneHMDB
11beta,17,21-TrihydroxyprogesteroneHMDB
17a-HydroxycorticosteroneHMDB
4-Pregnene-11alpha,21-triol 3,20-dioneHMDB
4-Pregnene-11b,17a,21-triol-3,20-dioneHMDB
Aeroseb HCHMDB
AlacortHMDB
AlgicirtisHMDB
AlphadermHMDB
AmberinHMDB
AnflamHMDB
AquacortHMDB
Aquanil HCHMDB
Barseb HCHMDB
Basan-cortiHMDB
CaldeCORT sprayHMDB
ChronocortHMDB
Clear aidHMDB
CleitonHMDB
CobadexHMDB
Compound FHMDB
Cor-tar-quinHMDB
Cort-quinHMDB
CortanalHMDB
CortesalHMDB
CorticremeHMDB
CortifanHMDB
CortimentHMDB
Cortisol alcoholHMDB
CortisolonumHMDB
CortisporinHMDB
Cortisporin oticoHMDB
CortisprayHMDB
CortizolHMDB
CortolotionHMDB
CortonemaHMDB
CortoxideHMDB
CremesoneHMDB
Cremicort-HHMDB
CutisolHMDB
DelacortHMDB
Derm-aidHMDB
DermilHMDB
DermolateHMDB
DiodermHMDB
Dome-cortHMDB
Domolene-HCHMDB
DroticHMDB
Ef corlinHMDB
EfcorbinHMDB
EfcortelanHMDB
EfcortelinHMDB
EldercortHMDB
Epiderm HHMDB
Esiderm HHMDB
EvacortHMDB
FicortrilHMDB
FiocortrilHMDB
Foille insettiHMDB
GenacortHMDB
gyno-CortisoneHMDB
Heb cortHMDB
Heb-cortHMDB
HidaloneHMDB
hidro-ColisonaHMDB
HycortHMDB
HycortolHMDB
HycortoleHMDB
HydracortHMDB
HydrassonHMDB
hydro-AdresonHMDB
hydro-ColisonaHMDB
HydrocortHMDB
HydrocortalHMDB
HydrocortistabHMDB
HydrocortisylHMDB
HydroskinHMDB
HysoneHMDB
HytisoneHMDB
Hytone lotionHMDB
Incortin-HHMDB
Incortin-hydrogenHMDB
Komed HCHMDB
KyypakkausHMDB
Lacticare HCHMDB
Lacticare-HCHMDB
LactisonaHMDB
LubricortHMDB
MaintasoneHMDB
MedicortHMDB
MeusicortHMDB
MildisonHMDB
MillidermHMDB
neo-Cort-domeHMDB
Neosporin-H earHMDB
Nystaform-HCHMDB
OptefHMDB
OtalgineHMDB
Otic-neo-cort-domeHMDB
OtobioticHMDB
OtocortHMDB
Otosone-FHMDB
Pediotic suspensionHMDB
PermicortHMDB
Polcort HHMDB
Preparation H hydrocortisone creamHMDB
PrepcortHMDB
Prestwick_265HMDB
Prevex HCHMDB
ProctofoamHMDB
ProtocortHMDB
RacetHMDB
RectoidHMDB
Remederm HCHMDB
SanatisonHMDB
Scalpicin capilarHMDB
SchericurHMDB
Scheroson FHMDB
SigmacortHMDB
SignefHMDB
StiefcorcilHMDB
Systral hydrocortHMDB
TarcortinHMDB
TimocortHMDB
TopicortHMDB
Transderma HHMDB
TraumaideHMDB
UnidermHMDB
Vioform-hydrocortisoneHMDB
VoSol HCHMDB
VytoneHMDB
ZenoxoneHMDB
11-EpicortisolMeSH, HMDB
Hydrocortisone, (11 alpha)-isomerMeSH, HMDB
Hydrocortisone, (9 beta,10 alpha,11 alpha)-isomerMeSH, HMDB
11 EpicortisolMeSH, HMDB
CortifairMeSH, HMDB
EpicortisolMeSH, HMDB
Chemical FormulaC21H30O5
Average Molecular Weight362.4599
Monoisotopic Molecular Weight362.20932407
IUPAC Name(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
Traditional Name(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
CAS Registry Number50-23-7
SMILES
[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI Identifier
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
InChI KeyJYGXADMDTFJGBT-VWUMJDOOSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassHydroxysteroids
Direct Parent21-hydroxysteroids
Alternative Parents
Substituents
  • Progestogin-skeleton
  • 21-hydroxysteroid
  • 20-oxosteroid
  • Pregnane-skeleton
  • 3-oxo-delta-4-steroid
  • 3-oxosteroid
  • Oxosteroid
  • 11-beta-hydroxysteroid
  • 11-hydroxysteroid
  • 17-hydroxysteroid
  • Delta-4-steroid
  • Cyclohexenone
  • Cyclic alcohol
  • Tertiary alcohol
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Cyclic ketone
  • Primary alcohol
  • Alcohol
  • Organooxygen compound
  • Organic oxide
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point220 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.32 mg/mLNot Available
LogP1.61HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+CBM186.630932474
[M-H]-Not Available192.2http://allccs.zhulab.cn/database/detail?ID=AllCCS00001175
[M+H]+Not Available189.0http://allccs.zhulab.cn/database/detail?ID=AllCCS00001175
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.2 g/LALOGPS
logP1.79ALOGPS
logP1.28ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)12.58ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area94.83 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity97.4 m³·mol⁻¹ChemAxon
Polarizability39.45 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+186.48531661259
DarkChem[M-H]-180.68731661259
AllCCS[M+H]+188.6532859911
AllCCS[M-H]-192.21432859911
DeepCCS[M-2H]-221.85230932474
DeepCCS[M+Na]+196.90830932474
AllCCS[M+H]+188.632859911
AllCCS[M+H-H2O]+186.132859911
AllCCS[M+NH4]+191.032859911
AllCCS[M+Na]+191.732859911
AllCCS[M-H]-192.232859911
AllCCS[M+Na-2H]-192.732859911
AllCCS[M+HCOO]-193.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Cortisol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3362.6Standard polar33892256
Cortisol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3038.3Standard non polar33892256
Cortisol[H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C3394.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cortisol,1TMS,isomer #1C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3358.0Semi standard non polar33892256
Cortisol,1TMS,isomer #2C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3316.6Semi standard non polar33892256
Cortisol,1TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3289.8Semi standard non polar33892256
Cortisol,1TMS,isomer #4C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3261.7Semi standard non polar33892256
Cortisol,1TMS,isomer #5C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3240.4Semi standard non polar33892256
Cortisol,2TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3270.0Semi standard non polar33892256
Cortisol,2TMS,isomer #10C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3175.1Semi standard non polar33892256
Cortisol,2TMS,isomer #2C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3400.6Semi standard non polar33892256
Cortisol,2TMS,isomer #3C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3262.2Semi standard non polar33892256
Cortisol,2TMS,isomer #4C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3284.4Semi standard non polar33892256
Cortisol,2TMS,isomer #5C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3252.9Semi standard non polar33892256
Cortisol,2TMS,isomer #6C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3240.2Semi standard non polar33892256
Cortisol,2TMS,isomer #7C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3303.6Semi standard non polar33892256
Cortisol,2TMS,isomer #8C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO3149.6Semi standard non polar33892256
Cortisol,2TMS,isomer #9C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3188.3Semi standard non polar33892256
Cortisol,3TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3298.7Semi standard non polar33892256
Cortisol,3TMS,isomer #10C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO)O[Si](C)(C)C3065.4Semi standard non polar33892256
Cortisol,3TMS,isomer #2C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO3157.5Semi standard non polar33892256
Cortisol,3TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3190.1Semi standard non polar33892256
Cortisol,3TMS,isomer #4C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3279.6Semi standard non polar33892256
Cortisol,3TMS,isomer #5C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3322.3Semi standard non polar33892256
Cortisol,3TMS,isomer #6C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3196.2Semi standard non polar33892256
Cortisol,3TMS,isomer #7C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO[Si](C)(C)C3133.6Semi standard non polar33892256
Cortisol,3TMS,isomer #8C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3179.5Semi standard non polar33892256
Cortisol,3TMS,isomer #9C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3167.1Semi standard non polar33892256
Cortisol,4TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3180.5Semi standard non polar33892256
Cortisol,4TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3195.9Standard non polar33892256
Cortisol,4TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=O)CO[Si](C)(C)C3444.2Standard polar33892256
Cortisol,4TMS,isomer #2C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3216.9Semi standard non polar33892256
Cortisol,4TMS,isomer #2C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3153.0Standard non polar33892256
Cortisol,4TMS,isomer #2C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3456.4Standard polar33892256
Cortisol,4TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3105.0Semi standard non polar33892256
Cortisol,4TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3138.7Standard non polar33892256
Cortisol,4TMS,isomer #3C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO)O[Si](C)(C)C3520.9Standard polar33892256
Cortisol,4TMS,isomer #4C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3186.3Semi standard non polar33892256
Cortisol,4TMS,isomer #4C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3275.5Standard non polar33892256
Cortisol,4TMS,isomer #4C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3528.0Standard polar33892256
Cortisol,4TMS,isomer #5C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3061.9Semi standard non polar33892256
Cortisol,4TMS,isomer #5C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3166.5Standard non polar33892256
Cortisol,4TMS,isomer #5C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=CO[Si](C)(C)C)O[Si](C)(C)C3581.6Standard polar33892256
Cortisol,5TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3104.0Semi standard non polar33892256
Cortisol,5TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3182.8Standard non polar33892256
Cortisol,5TMS,isomer #1C[C@]12C[C@H](O[Si](C)(C)C)[C@H]3[C@@H](CCC4=CC(O[Si](C)(C)C)=CC[C@@]43C)[C@@H]1CC[C@]2(O[Si](C)(C)C)C(=CO[Si](C)(C)C)O[Si](C)(C)C3425.9Standard polar33892256
Cortisol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3604.8Semi standard non polar33892256
Cortisol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3605.1Semi standard non polar33892256
Cortisol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123528.1Semi standard non polar33892256
Cortisol,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3508.3Semi standard non polar33892256
Cortisol,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]123506.5Semi standard non polar33892256
Cortisol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3899.0Semi standard non polar33892256
Cortisol,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@H]123647.3Semi standard non polar33892256
Cortisol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O[Si](C)(C)C(C)(C)C)C(=O)CO)[C@@H]2CCC3=CC(=O)CC[C@]3(C)[C@@H]123734.8Semi standard non polar33892256
Cortisol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3783.8Semi standard non polar33892256
Cortisol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]123743.0Semi standard non polar33892256
Cortisol,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3756.3Semi standard non polar33892256
Cortisol,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3783.7Semi standard non polar33892256
Cortisol,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3726.7Semi standard non polar33892256
Cortisol,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3649.8Semi standard non polar33892256
Cortisol,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123608.8Semi standard non polar33892256
Cortisol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4002.3Semi standard non polar33892256
Cortisol,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123739.4Semi standard non polar33892256
Cortisol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C4032.0Semi standard non polar33892256
Cortisol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3979.2Semi standard non polar33892256
Cortisol,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=CO)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3893.2Semi standard non polar33892256
Cortisol,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=O)CO)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123804.0Semi standard non polar33892256
Cortisol,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O)[C@@H]123900.8Semi standard non polar33892256
Cortisol,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3848.8Semi standard non polar33892256
Cortisol,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3779.3Semi standard non polar33892256
Cortisol,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3871.3Semi standard non polar33892256
Cortisol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4082.3Semi standard non polar33892256
Cortisol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3967.0Standard non polar33892256
Cortisol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3709.9Standard polar33892256
Cortisol,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C4015.1Semi standard non polar33892256
Cortisol,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3977.9Standard non polar33892256
Cortisol,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC(=O)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3701.9Standard polar33892256
Cortisol,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C4098.3Semi standard non polar33892256
Cortisol,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3994.9Standard non polar33892256
Cortisol,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C3782.3Standard polar33892256
Cortisol,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123953.9Semi standard non polar33892256
Cortisol,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123891.7Standard non polar33892256
Cortisol,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](O[Si](C)(C)C(C)(C)C)(C(=CO)O[Si](C)(C)C(C)(C)C)[C@@]3(C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]123776.1Standard polar33892256
Cortisol,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3902.4Semi standard non polar33892256
Cortisol,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3913.6Standard non polar33892256
Cortisol,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O[Si](C)(C)C(C)(C)C)=CC[C@]4(C)[C@H]3[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@]21C3850.4Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Cortisol GC-MS (2 MEOX; 3 TMS)splash10-0f7o-3930000000-b7b43b2fc9f20acfd20b2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Cortisol GC-MS (Non-derivatized)splash10-0f7o-3930000000-b7b43b2fc9f20acfd20b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Cortisol GC-EI-TOF (Non-derivatized)splash10-052f-2910000000-2625335a031486ecb3022017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (3 TMS) - 70eV, Positivesplash10-03di-0764390000-da961c85fe1bb83113dd2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Cortisol GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-qTof , Positive-QTOFsplash10-03di-0759000000-b337a46ecfd6de91776b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-qTof , Positive-QTOFsplash10-05fs-3940000000-2bf712a915c3a2c100a22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-IT , negative-QTOFsplash10-015a-0189000000-61afe49a8d4a96aae3f92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol Linear Ion Trap , negative-QTOFsplash10-00lu-0149000000-b95a11b27f7e7d44dd512017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol Linear Ion Trap , negative-QTOFsplash10-001l-0019000000-4c4924e6ac472ad528862017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol , negative-QTOFsplash10-001j-0259000000-fda4e876e9ef040159462017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-03di-0009000000-cc8188e19dbdd6210b772017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-07r1-1985000000-b6d756bd554367393be32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-00dj-1930000000-120dc8893cc4709c1f6b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-00dm-2910000000-d1f01e1bce5fe0108f402017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-05tf-3900000000-4ffd79c22013fe5479b62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-054o-4900000000-fdbed869a0cadc21b64b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-002f-7900000000-dac7b2c5b3f8e8b850862017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-016u-7900000000-3a770c3819f82ea458412017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol LC-ESI-QFT , positive-QTOFsplash10-016r-9800000000-d261cf7141fbf30715f52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol Linear Ion Trap , positive-QTOFsplash10-056r-0289000000-9a48511b5c3d5fa404e92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol , positive-QTOFsplash10-03di-0759000000-b337a46ecfd6de91776b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol , positive-QTOFsplash10-05fs-3940000000-2bf712a915c3a2c100a22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Cortisol 20V, Positive-QTOFsplash10-03di-0259000000-4a5fba6c9c5e205dd2392021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisol 10V, Positive-QTOFsplash10-01ot-0019000000-8ad3f8da375dbe757f562016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisol 20V, Positive-QTOFsplash10-01r2-0249000000-626e28356285f53f3fe62016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisol 40V, Positive-QTOFsplash10-0a5i-1591000000-0e29016542b4be9b2b712016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisol 10V, Negative-QTOFsplash10-03di-0009000000-50ebf457069ff74ed8832016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisol 20V, Negative-QTOFsplash10-114u-2029000000-385a70405fc241c4d5a42016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Cortisol 40V, Negative-QTOFsplash10-0a4i-9086000000-3eda615d9551e69f2b4a2016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Membrane
  • Mitochondria
  • Endoplasmic reticulum
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Saliva
  • Urine
Tissue Locations
  • Adipose Tissue
  • Adrenal Cortex
  • Adrenal Gland
  • Adrenal Medulla
  • Bladder
  • Brain
  • Epidermis
  • Fibroblasts
  • Intestine
  • Kidney
  • Leukocyte
  • Liver
  • Neuron
  • Ovary
  • Pancreas
  • Placenta
  • Platelet
  • Prostate
  • Skeletal Muscle
  • Spleen
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.287 +/- 0.099 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.0130-0.340 uMNewborn (2 - <15 days old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.014-0.46 uMInfant (15 days - <1 year old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.048-0.30 uMChildren (1 - <9 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.060-0.35 uMChildren (9 - <14 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.077-0.45 uMAdolescent (14 - <17 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.097-0.51 uMAdolescent (17 - <19 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified0.150-0.650 uMAdult (>18 years old)Not SpecifiedNormal details
BloodDetected and Quantified0.028-0.634 uMNewborn (0-30 days old)MaleNormal details
BloodDetected and Quantified0.32 +/- 0.19 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.221-0.690 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
BloodDetected and Quantified0.199 (0.058-0.475) uMInfant (0-1 year old)Both
Normal		 details
BloodDetected and Quantified0.359 (0.130-0.519) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.171 +/- 0.0662 uMAdult (>18 years old)Female
Normal		 details
BloodDetected and Quantified0.427 (0.110-0.744) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.386 (0.100-0.671) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.348 (0.090-0.605) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.313 (0.081-0.545) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.282 (0.073-0.491) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.255 (0.066-0.443) uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified0.171-0.538 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected and Quantified0083-0.635 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified0.07-0.55 uMChildren (1 - 13 years old)BothNormal
    • Physician's Guide...
 details
BloodDetected and Quantified0.138-0.690 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected and Quantified0.46 +/- 0.30 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.260-0.719 uMAdult (>18 years old)Not SpecifiedNormal details
BloodDetected and Quantified0.14 (0.0-0.28) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.052 +/- 0.023 uMElderly (>65 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.02 +/- 0.011 uMAdult (>18 years old)MaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.03 +/- 0.005 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified0.0069 +/- 0.0058 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified0.0063 +/- 0.0052 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified0.0063 +/- 0.005 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified0.0077 +/- 0.0052 uMAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified2.35 uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.0081 (0.0019-0.014) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.016(0.012-0.021) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified<0.00960 umol/mmol creatinineAdult (>18 years old)MaleNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.00184-0.0184 umol/mmol creatinineInfant (0-1 year old)Not SpecifiedNormal details
UrineDetected and Quantified0.0061 +/- 0.00064 umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified1.036 uMChildren (1-13 years old)Male
3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency		 details
BloodDetected and Quantified0.235 uMNewborn (0-30 days old)Female
Adrenal insufficiency, congenital, with 46,XY sex reversal, partial or complete		 details
BloodDetected and Quantified0.0124-0.455 uMNewborn (0-30 days old)MaleAdrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency details
BloodDetected and Quantified<0.0276 uMNewborn (0-30 days old)Female
Adrenal insufficiency, congenital, with 46,XY sex reversal, partial or complete		 details
BloodDetected and Quantified0.34 (0.028-0.66) uMAdult (>18 years old)BothACTH deficiency, isolated
    • MetaGene: Metabol...
 details
BloodDetected and Quantified0.001 (0.0-0.002) uMChildren (1-13 years old)BothAdrenal Hypoplasia
    • MetaGene: Metabol...
 details
BloodDetected and Quantified0.326 +/- 0.090 uMAdult (>18 years old)BothSchizophrenia details
BloodDetected and Quantified10.55 +/- 1.93 uMAdult (>18 years old)BothSchizophrenia details
BloodDetected and Quantified0.381 uMInfant (0-1 year old)Female
3-Hydroxyacyl-CoA dehydrogenase deficiency (SCHAD)		 details
BloodDetected and Quantified0.135 uMChildren (1-13 years old)Female
Apparent mineralocorticoid excess		 details
BloodDetected and Quantified0.300 +/- 0.200 uMNewborn (0-30 days old)Not Specified
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.684-0.991 uMAdult (>18 years old)Male
Glucocorticoid resistance		 details
BloodDetected and Quantified0.400 +/- 0.200 uMChildren (1-13 years old)Not Specified
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.07 uMAdult (>18 years old)Male
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.12 uMAdolescent (13-18 years old)Male
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.290-0.390 uMNewborn (0-30 days old)Both
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.280-0.480 uMChildren (1-13 years old)Both
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.00615 uMNewborn (0-30 days old)MaleGlucocorticoid deficiency details
BloodDetected and Quantified0.353 uMNewborn (0-30 days old)Male3-Hydroxy-3-Methylglutaryl-CoA Lyase Deficiency details
BloodDetected and Quantified0.360 +/- 0.100 uMAdult (>18 years old)MaleAdrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency details
BloodDetected and Quantified0.230 +/- 0.120 uMInfant (0-1 year old)Not SpecifiedAdrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency details
BloodDetected and Quantified0.300 +/- 0.120 uMChildren (1-13 years old)BothAdrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency details
BloodDetected and Quantified0.360 +/- 0.120 uMAdult (>18 years old)FemaleAdrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency details
BloodDetected and Quantified<0.138 uMAdult (>18 years old)FemaleProprotein Convertase 1/3 Deficiency details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Schizophrenia		 details
BloodDetected and Quantified<0.0280 uMInfant (0-1 year old)FemaleLipoid Adrenal Hyperplasia details
BloodDetected and Quantified0.152 uMAdult (>18 years old)Female
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency		 details
BloodDetected and Quantified0.556 uMNewborn (0-30 days old)FemaleBartter Syndrome, Type 2, Antenatal details
BloodDetected and Quantified0.434-0.654 uMInfant (0-1 year old)Both
Antley-Bixler syndrome with genital anomalies and disordered steroidogenesis		 details
BloodDetected and Quantified0.558 uMChildren (1-13 years old)Female
Aromatase deficiency		 details
BloodDetected and Quantified0.27 +/- 0.06 uMAdult (>18 years old)BothMajor affective disorder details
BloodDetected and Quantified0.0806 uMAdolescent (13-18 years old)Female
Adrenal hyperplasia, congenital, due to 17-alpha-hydroxylase deficiency		 details
BloodDetected and Quantified0.41 +/- 0.2 uMAdult (>18 years old)BothTic disorder details
BloodDetected and Quantified0.0469 uMAdult (>18 years old)Female
Adrenal hyperplasia, congenital, due to 17-alpha-hydroxylase deficiency		 details
BloodDetected and Quantified0.221 uMInfant (0-1 year old)FemaleCorticosterone methyloxidase I deficiency- CMO I details
BloodDetected and Quantified<0.1 uMAdult (>18 years old)FemaleACTH deficiency, isolated details
BloodDetected and Quantified0.22 uMChildren (1-13 years old)MaleACTH deficiency, isolated details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0096 (0.0027-0.016) uMAdult (>18 years old)FemaleGynecological diseases (benign) details
Cerebrospinal Fluid (CSF)Detected and Quantified0.0001+/- 0.00001 uMAdult (>18 years old)FemaleFunctional hypothalamic amenorrhea details
SalivaDetected and Quantified8.69 uMAdult (>18 years old)BothStress period details
UrineDetected and Quantified0.021 +/- 0.0097 umol/mmol creatinineAdult (>18 years old)Both
Systemic lupus erythematosus (SLE) 		details
UrineDetected and Quantified0.0082 +/- 0.0014 umol/mmol creatinineAdult (>18 years old)Both
Systemic lupus erythematosus (SLE) 		details
UrineDetected and Quantified0.0133 umol/mmol creatinineAdult (>18 years old)MaleGlucocorticoid resistance details
UrineDetected and Quantified0.0114 umol/mmol creatinineInfant (0-1 year old)FemaleLeptin Deficiency or Dysfunction details
UrineDetected and Quantified0.026 +/- 0.011 umol/mmol creatinineAdult (>18 years old)Both
Rheumatoid arthritis 		details
UrineDetected and Quantified0.0052 +/- 0.001 umol/mmol creatinineAdult (>18 years old)Both
Rheumatoid arthritis 		details
UrineDetected and Quantified0.44 +/- 0.09 umol/mmol creatinineAdult (>18 years old)BothAnorexia nervosa details
Associated Disorders and Diseases
Disease References
Bipolar disorder
  1. Walker EF, Bonsall R, Walder DJ: Plasma hormones and catecholamine metabolites in monozygotic twins discordant for psychosis. Neuropsychiatry Neuropsychol Behav Neurol. 2002 Mar;15(1):10-7. [PubMed:11877547 ]
Tic disorder
  1. Hoekstra PJ, Anderson GM, Troost PW, Kallenberg CG, Minderaa RB: Plasma kynurenine and related measures in tic disorder patients. Eur Child Adolesc Psychiatry. 2007 Jun;16 Suppl 1:71-7. doi: 10.1007/s00787-007-1009-1. [PubMed:17665285 ]
Schizophrenia
  1. Walker EF, Bonsall R, Walder DJ: Plasma hormones and catecholamine metabolites in monozygotic twins discordant for psychosis. Neuropsychiatry Neuropsychol Behav Neurol. 2002 Mar;15(1):10-7. [PubMed:11877547 ]
  2. Schwarz E, Guest PC, Rahmoune H, Harris LW, Wang L, Leweke FM, Rothermundt M, Bogerts B, Koethe D, Kranaster L, Ohrmann P, Suslow T, McAllister G, Spain M, Barnes A, van Beveren NJ, Baron-Cohen S, Steiner J, Torrey FE, Yolken RH, Bahn S: Identification of a biological signature for schizophrenia in serum. Mol Psychiatry. 2012 May;17(5):494-502. doi: 10.1038/mp.2011.42. Epub 2011 Apr 12. [PubMed:21483431 ]
  3. Bicikova M, Hill M, Ripova D, Mohr P, Hampl R: Determination of steroid metabolome as a possible tool for laboratory diagnosis of schizophrenia. J Steroid Biochem Mol Biol. 2013 Jan;133:77-83. doi: 10.1016/j.jsbmb.2012.08.009. Epub 2012 Aug 24. [PubMed:22944140 ]
ACTH deficiency, isolated
  1. Harano Y, Kitano A, Akiyama Y, Kotajima L, Honda K, Arioka H: A case of isolated adrenocorticotropic hormone deficiency: a rare but possible cause of hypercalcemia. Int Med Case Rep J. 2015 Mar 27;8:77-9. doi: 10.2147/IMCRJ.S63778. eCollection 2015. [PubMed:25870516 ]
  2. Aynsley-Green A, Moncrieff MW, Ratter S, Benedict CR, Storrs CN: Isolated ACTH deficiency. Metabolic and endocrine studies in a 7-year-old boy. Arch Dis Child. 1978 Jun;53(6):499-502. [PubMed:210721 ]
  3. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.
Adrenal hypoplasia
  1. G.Frauendienst-Egger, Friedrich K. Trefz (2017). MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de). METAGENE consortium.
Apparent mineralocorticoid excess
  1. New MI, Levine LS, Biglieri EG, Pareira J, Ulick S: Evidence for an unidentified steroid in a child with apparent mineralocorticoid hypertension. J Clin Endocrinol Metab. 1977 May;44(5):924-33. doi: 10.1210/jcem-44-5-924. [PubMed:870517 ]
Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency
  1. Hattori N, Ishihara T, Moridera K, Hino M, Ikekubo K, Kurahachi H: A case of late-onset congenital adrenal hyperplasia due to partial 3 beta-hydroxysteroid dehydrogenase deficiency. Endocr J. 1993 Feb;40(1):107-9. [PubMed:7951484 ]
  2. Lutfallah C, Wang W, Mason JI, Chang YT, Haider A, Rich B, Castro-Magana M, Copeland KC, David R, Pang S: Newly proposed hormonal criteria via genotypic proof for type II 3beta-hydroxysteroid dehydrogenase deficiency. J Clin Endocrinol Metab. 2002 Jun;87(6):2611-22. doi: 10.1210/jcem.87.6.8615. [PubMed:12050224 ]
  3. Guven A, Polat S: Testicular Adrenal Rest Tumor in Two Brothers with a Novel Mutation in the 3-Beta-Hydroxysteroid Dehydrogenase-2 Gene. J Clin Res Pediatr Endocrinol. 2017 Mar 1;9(1):85-90. doi: 10.4274/jcrpe.3306. Epub 2016 Jul 29. [PubMed:27476613 ]
Aromatase deficiency
  1. Mullis PE, Yoshimura N, Kuhlmann B, Lippuner K, Jaeger P, Harada H: Aromatase deficiency in a female who is compound heterozygote for two new point mutations in the P450arom gene: impact of estrogens on hypergonadotropic hypogonadism, multicystic ovaries, and bone densitometry in childhood. J Clin Endocrinol Metab. 1997 Jun;82(6):1739-45. doi: 10.1210/jcem.82.6.3994. [PubMed:9177373 ]
3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency
  1. Morris AA, Lascelles CV, Olpin SE, Lake BD, Leonard JV, Quant PA: Hepatic mitochondrial 3-hydroxy-3-methylglutaryl-coenzyme a synthase deficiency. Pediatr Res. 1998 Sep;44(3):392-6. doi: 10.1203/00006450-199809000-00021. [PubMed:9727719 ]
3-Hydroxyacyl-CoA dehydrogenase deficiency
  1. Clayton PT, Eaton S, Aynsley-Green A, Edginton M, Hussain K, Krywawych S, Datta V, Malingre HE, Berger R, van den Berg IE: Hyperinsulinism in short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency reveals the importance of beta-oxidation in insulin secretion. J Clin Invest. 2001 Aug;108(3):457-65. [PubMed:11489939 ]
Antley-Bixler syndrome with genital anomalies and disordered steroidogenesis
  1. Fukami M, Hasegawa T, Horikawa R, Ohashi T, Nishimura G, Homma K, Ogata T: Cytochrome P450 oxidoreductase deficiency in three patients initially regarded as having 21-hydroxylase deficiency and/or aromatase deficiency: diagnostic value of urine steroid hormone analysis. Pediatr Res. 2006 Feb;59(2):276-80. doi: 10.1203/01.pdr.0000195825.31504.28. [PubMed:16439592 ]
Congenital Adrenal Hyperplasia, due to 17-Hydroxylase-Deficiency
  1. Wong SL, Shu SG, Tsai CR: Seventeen alpha-hydroxylase deficiency. J Formos Med Assoc. 2006 Feb;105(2):177-81. doi: 10.1016/S0929-6646(09)60342-9. [PubMed:16477341 ]
  2. Kim SM, Rhee JH: A case of 17 alpha-hydroxylase deficiency. Clin Exp Reprod Med. 2015 Jun;42(2):72-6. doi: 10.5653/cerm.2015.42.2.72. Epub 2015 Jun 30. [PubMed:26161337 ]
Adrenal insufficiency, congenital, with 46,XY sex reversal, partial or complete
  1. Kim CJ, Lin L, Huang N, Quigley CA, AvRuskin TW, Achermann JC, Miller WL: Severe combined adrenal and gonadal deficiency caused by novel mutations in the cholesterol side chain cleavage enzyme, P450scc. J Clin Endocrinol Metab. 2008 Mar;93(3):696-702. doi: 10.1210/jc.2007-2330. Epub 2008 Jan 8. [PubMed:18182448 ]
3-Hydroxy-3-methylglutaryl-CoA lyase deficiency
  1. Santarelli F, Cassanello M, Enea A, Poma F, D'Onofrio V, Guala G, Garrone G, Puccinelli P, Caruso U, Porta F, Spada M: A neonatal case of 3-hydroxy-3-methylglutaric-coenzyme A lyase deficiency. Ital J Pediatr. 2013 May 24;39:33. doi: 10.1186/1824-7288-39-33. [PubMed:23705938 ]
Bartter Syndrome, Type 2, Antenatal
  1. Chan WK, To KF, Tong JH, Law CW: Paradoxical hypertension and salt wasting in Type II Bartter syndrome. Clin Kidney J. 2012 Jun;5(3):217-20. doi: 10.1093/ckj/sfs026. Epub 2012 Mar 29. [PubMed:26069767 ]
Glucocorticoid resistance
  1. Donner KM, Hiltunen TP, Janne OA, Sane T, Kontula K: Generalized glucocorticoid resistance caused by a novel two-nucleotide deletion in the hormone-binding domain of the glucocorticoid receptor gene NR3C1. Eur J Endocrinol. 2012 Dec 10;168(1):K9-K18. doi: 10.1530/EJE-12-0532. Print 2013 Jan. [PubMed:23076843 ]
Proprotein Convertase 1/3 Deficiency
  1. O'Rahilly S, Gray H, Humphreys PJ, Krook A, Polonsky KS, White A, Gibson S, Taylor K, Carr C: Brief report: impaired processing of prohormones associated with abnormalities of glucose homeostasis and adrenal function. N Engl J Med. 1995 Nov 23;333(21):1386-90. doi: 10.1056/NEJM199511233332104. [PubMed:7477119 ]
Lipoid Congenital Adrenal Hyperplasia
  1. Fujieda K, Tajima T, Nakae J, Sageshima S, Tachibana K, Suwa S, Sugawara T, Strauss JF 3rd: Spontaneous puberty in 46,XX subjects with congenital lipoid adrenal hyperplasia. Ovarian steroidogenesis is spared to some extent despite inactivating mutations in the steroidogenic acute regulatory protein (StAR) gene. J Clin Invest. 1997 Mar 15;99(6):1265-71. doi: 10.1172/JCI119284. [PubMed:9077535 ]
Corticosterone methyl oxidase I deficiency
  1. Ustyol A, Atabek ME, Taylor N, Yeung MC, Chan AO: Corticosterone Methyl Oxidase Deficiency Type 1 with Normokalemia in an Infant. J Clin Res Pediatr Endocrinol. 2016 Sep 1;8(3):356-9. doi: 10.4274/jcrpe.2824. Epub 2016 Apr 29. [PubMed:27125267 ]
Benign gynecological diseases
  1. Murakami K, Nakagawa T, Shozu M, Uchide K, Koike K, Inoue M: Changes with aging of steroidal levels in the cerebrospinal fluid of women. Maturitas. 1999 Sep 24;33(1):71-80. [PubMed:10585175 ]
Functional hypothalamic amenorrhea
  1. Brundu B, Loucks TL, Adler LJ, Cameron JL, Berga SL: Increased cortisol in the cerebrospinal fluid of women with functional hypothalamic amenorrhea. J Clin Endocrinol Metab. 2006 Apr;91(4):1561-5. Epub 2006 Feb 7. [PubMed:16464944 ]
Stress
  1. Krahwinkel T, Nastali S, Azrak B, Willershausen B: The effect of examination stress conditions on the cortisol content of saliva - a study of students from clinical semesters. Eur J Med Res. 2004 May 28;9(5):256-60. [PubMed:15257879 ]
Anorexia nervosa
  1. Vierhapper H, Kiss A, Nowotny P, Wiesnagrotzki S, Monder C, Waldhausl W: Metabolism of cortisol in anorexia nervosa. Acta Endocrinol (Copenh). 1990 Jun;122(6):753-8. [PubMed:2165347 ]
Rheumatoid arthritis
  1. Straub RH, Weidler C, Demmel B, Herrmann M, Kees F, Schmidt M, Scholmerich J, Schedel J: Renal clearance and daily excretion of cortisol and adrenal androgens in patients with rheumatoid arthritis and systemic lupus erythematosus. Ann Rheum Dis. 2004 Aug;63(8):961-8. [PubMed:15249323 ]
Leptin Deficiency or Dysfunction
  1. Farooqi IS, Jebb SA, Langmack G, Lawrence E, Cheetham CH, Prentice AM, Hughes IA, McCamish MA, O'Rahilly S: Effects of recombinant leptin therapy in a child with congenital leptin deficiency. N Engl J Med. 1999 Sep 16;341(12):879-84. doi: 10.1056/NEJM199909163411204. [PubMed:10486419 ]
Associated OMIM IDs
  • 125480 (Bipolar disorder)
  • 181500 (Schizophrenia)
  • 201400 (ACTH deficiency, isolated)
  • 300200 (Adrenal hypoplasia)
  • 218030 (Apparent mineralocorticoid excess)
  • 201810 (Adrenal hyperplasia, congenital, due to 3-beta-hydroxysteroid dehydrogenase 2 deficiency)
  • 613546 (Aromatase deficiency)
  • 605911 (3-Hydroxy-3-Methylglutaryl-CoA Synthase Deficiency)
  • 231530 (3-Hydroxyacyl-CoA dehydrogenase deficiency)
  • 201750 (Antley-Bixler syndrome with genital anomalies and disordered steroidogenesis)
  • 202110 (Congenital Adrenal Hyperplasia, due to 17-Hydroxylase-Deficiency)
  • 613743 (Adrenal insufficiency, congenital, with 46,XY sex reversal, partial or complete)
  • 246450 (3-Hydroxy-3-methylglutaryl-CoA lyase deficiency)
  • 241200 (Bartter Syndrome, Type 2, Antenatal)
  • 615962 (Glucocorticoid resistance)
  • 600955 (Proprotein Convertase 1/3 Deficiency)
  • 201710 (Lipoid Congenital Adrenal Hyperplasia)
  • 203400 (Corticosterone methyl oxidase I deficiency)
  • 606788 (Anorexia nervosa)
  • 180300 (Rheumatoid arthritis)
  • 614962 (Leptin Deficiency or Dysfunction)
DrugBank IDDB00741
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDC00735
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkHydrocortisone
METLIN IDNot Available
PubChem Compound5754
PDB IDNot Available
ChEBI ID17650
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00000032
Good Scents IDNot Available
References
Synthesis ReferenceHanson, Frederick R.; Mann, Kingsley M.; Nielson, Eldon D.; Anderson, Hugh V.; Brunner, Mari P.; Karnemaat, John N.; Colingsworth, Donald R.; Haines, Wm. J. Microbiological transformations of steroids. VIII. Preparation of 17a-hydroxycorticosterone.  Journal of the American Chemical Society 1953, 75(21), p.5369-5370. (https://pubs.acs.org/doi/pdf/10.1021/ja01117a066)
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Schwarz S, Pohl P: Steroid hormones and steroid hormone binding globulins in cerebrospinal fluid studied in individuals with intact and with disturbed blood-cerebrospinal fluid barrier. Neuroendocrinology. 1992 Feb;55(2):174-82. [PubMed:1620285 ]
  2. Al-Damluji S, Iveson T, Thomas JM, Pendlebury DJ, Rees LH, Besser GM: Food-induced cortisol secretion is mediated by central alpha-1 adrenoceptor modulation of pituitary ACTH secretion. Clin Endocrinol (Oxf). 1987 May;26(5):629-36. [PubMed:2822298 ]
  3. Krahwinkel T, Nastali S, Azrak B, Willershausen B: The effect of examination stress conditions on the cortisol content of saliva - a study of students from clinical semesters. Eur J Med Res. 2004 May 28;9(5):256-60. [PubMed:15257879 ]
  4. Rubin RT, Miller TH, Rhodes ME, Czambel RK: Adrenal cortical responses to low- and high-dose ACTH(1-24) administration in major depressives vs. matched controls. Psychiatry Res. 2006 Jun 30;143(1):43-50. Epub 2006 May 16. [PubMed:16707164 ]
  5. Morris JG, Nevill ME, Boobis LH, Macdonald IA, Williams C: Muscle metabolism, temperature, and function during prolonged, intermittent, high-intensity running in air temperatures of 33 degrees and 17 degrees C. Int J Sports Med. 2005 Dec;26(10):805-14. [PubMed:16320162 ]
  6. Deuschle M, Lecei O, Stalla GK, Landgraf R, Hamann B, Lederbogen F, Uhr M, Luppa P, Maras A, Colla M, Heuser I: Steroid synthesis inhibition with ketoconazole and its effect upon the regulation of the hypothalamus-pituitary-adrenal system in healthy humans. Neuropsychopharmacology. 2003 Feb;28(2):379-83. Epub 2002 Aug 12. [PubMed:12589391 ]
  7. Clauss SB, Holmes KW, Hopkins P, Stein E, Cho M, Tate A, Johnson-Levonas AO, Kwiterovich PO: Efficacy and safety of lovastatin therapy in adolescent girls with heterozygous familial hypercholesterolemia. Pediatrics. 2005 Sep;116(3):682-8. [PubMed:16140708 ]
  8. Stark JG, Werner S, Homrighausen S, Tang Y, Krieg M, Derendorf H, Moellmann H, Hochhaus G: Pharmacokinetic/pharmacodynamic modeling of total lymphocytes and selected subtypes after oral budesonide. J Pharmacokinet Pharmacodyn. 2006 Aug;33(4):441-59. Epub 2006 Apr 22. [PubMed:16633890 ]
  9. Makras P, Koukoulis GN, Bourikas G, Papatheodorou G, Bedevis K, Menounos P, Pappas D, Kartalis G: Effect of 4 weeks of basic military training on peripheral blood leucocytes and urinary excretion of catecholamines and cortisol. J Sports Sci. 2005 Aug;23(8):825-34. [PubMed:16195034 ]
  10. Costa A, Benedetto C, Fabris C, Giraudi GF, Testori O, Bertino E, Marozio L, Varvello G, Arisio R, Ariano M, Emanuel A: Cortisol in human tissues at different stages of life. J Endocrinol Invest. 1996 Jul-Aug;19(7):463-71. [PubMed:8884541 ]
  11. Targher G, Bertolini L, Zoppini G, Zenari L, Falezza G: Relationship of non-alcoholic hepatic steatosis to cortisol secretion in diet-controlled Type 2 diabetic patients. Diabet Med. 2005 Sep;22(9):1146-50. [PubMed:16108840 ]
  12. Pruessner JC, Baldwin MW, Dedovic K, Renwick R, Mahani NK, Lord C, Meaney M, Lupien S: Self-esteem, locus of control, hippocampal volume, and cortisol regulation in young and old adulthood. Neuroimage. 2005 Dec;28(4):815-26. Epub 2005 Jul 14. [PubMed:16023372 ]
  13. Whorwood CB, Donovan SJ, Flanagan D, Phillips DI, Byrne CD: Increased glucocorticoid receptor expression in human skeletal muscle cells may contribute to the pathogenesis of the metabolic syndrome. Diabetes. 2002 Apr;51(4):1066-75. [PubMed:11916927 ]
  14. Takahashi T, Ikeda K, Ishikawa M, Tsukasaki T, Nakama D, Tanida S, Kameda T: Social stress-induced cortisol elevation acutely impairs social memory in humans. Neurosci Lett. 2004 Jun 10;363(2):125-30. [PubMed:15172099 ]
  15. Chapman TE, Kraan GP, Nagel GT, Wolthers BG, Drayer NM: Measurement of the cortisol production rate in two sisters with 17 alpha-hydroxylase deficiency using [1,2,3,4-13C]cortisol and isotope dilution mass spectrometry. J Steroid Biochem Mol Biol. 1991 Apr;38(4):489-96. [PubMed:2031862 ]
  16. Heckmann M, Wudy SA, Haack D, Pohlandt F: Reference range for serum cortisol in well preterm infants. Arch Dis Child Fetal Neonatal Ed. 1999 Nov;81(3):F171-4. [PubMed:10525017 ]
  17. Turpeinen U, Markkanen H, Valimaki M, Stenman UH: Determination of urinary free cortisol by HPLC. Clin Chem. 1997 Aug;43(8 Pt 1):1386-91. [PubMed:9267318 ]
  18. Chrousos GP, Ghaly L, Shedden A, Iezzoni DG, Harris AG: Effects of mometasone furoate dry powder inhaler and beclomethasone dipropionate hydrofluoroalkane and chlorofluorocarbon on the hypothalamic-pituitary-adrenal axis in asthmatic subjects. Chest. 2005 Jul;128(1):70-7. [PubMed:16002918 ]
  19. Ritsner M, Gibel A, Maayan R, Ratner Y, Ram E, Biadsy H, Modai I, Weizman A: Cortisol/dehydroepiandrosterone ratio and responses to antipsychotic treatment in schizophrenia. Neuropsychopharmacology. 2005 Oct;30(10):1913-22. [PubMed:15870835 ]
  20. Seidegard J, Dahlstrom K, Kullberg A: Effect of grapefruit juice on urinary 6 beta-hydroxycortisol/cortisol excretion. Clin Exp Pharmacol Physiol. 1998 May;25(5):379-81. [PubMed:9612666 ]
  21. Palacios R, Sugawara I: Hydrocortisone abrogates proliferation of T cells in autologous mixed lymphocyte reaction by rendering the interleukin-2 Producer T cells unresponsive to interleukin-1 and unable to synthesize the T-cell growth factor. Scand J Immunol. 1982 Jan;15(1):25-31. [PubMed:6461917 ]
  22. de Weerth C, Zijl RH, Buitelaar JK: Development of cortisol circadian rhythm in infancy. Early Hum Dev. 2003 Aug;73(1-2):39-52. [PubMed:12932892 ]
  23. KNIGHT RP Jr, KORNFELD DS, GLASER GH, BONDY PK: Effects of intravenous hydrocortisone on electrolytes of serum and urine in man. J Clin Endocrinol Metab. 1955 Feb;15(2):176-81. [PubMed:13233328 ]
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  26. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
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  28. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Only showing the first 10 proteins. There are 19 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Cytochrome P450 11B1, mitochondrial
General function:
Involved in monooxygenase activity
Specific function:
Has steroid 11-beta-hydroxylase activity. In addition to this activity, the 18 or 19-hydroxylation of steroids and the aromatization of androstendione to estrone have also been ascribed to cytochrome P450 XIB.
Gene Name:
CYP11B1
Uniprot ID:
P15538
Molecular weight:
57572.44
Reactions
Cortexolone + Reduced ferredoxin + Oxygen → Cortisol + Oxidized ferredoxin + Waterdetails
Enzyme Details
2. 3-oxo-5-beta-steroid 4-dehydrogenase
General function:
Involved in oxidoreductase activity
Specific function:
Efficiently catalyzes the reduction of progesterone, androstenedione, 17-alpha-hydroxyprogesterone and testosterone to 5-beta-reduced metabolites. The bile acid intermediates 7-alpha,12-alpha-dihydroxy-4-cholesten-3-one and 7-alpha-hydroxy-4-cholesten-3-one can also act as substrates.
Gene Name:
AKR1D1
Uniprot ID:
P51857
Molecular weight:
32889.38
Reactions
Dihydrocortisol + NADP → Cortisol + NADPH + Hydrogen Iondetails
Enzyme Details
3. Corticosteroid 11-beta-dehydrogenase isozyme 2
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the conversion of cortisol to the inactive metabolite cortisone. Modulates intracellular glucocorticoid levels, thus protecting the nonselective mineralocorticoid receptor from occupation by glucocorticoids.
Gene Name:
HSD11B2
Uniprot ID:
P80365
Molecular weight:
44126.06
Enzyme Details
4. Corticosteroid 11-beta-dehydrogenase isozyme 1
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes reversibly the conversion of cortisol to the inactive metabolite cortisone. Catalyzes reversibly the conversion of 7-ketocholesterol to 7-beta-hydroxycholesterol. In intact cells, the reaction runs only in one direction, from 7-ketocholesterol to 7-beta-hydroxycholesterol (By similarity).
Gene Name:
HSD11B1
Uniprot ID:
P28845
Molecular weight:
32400.665
Reactions
Cortisol + NADP → Cortisone + NADPH + Hydrogen Iondetails
Enzyme Details
5. Cytochrome P450 3A4
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular weight:
57255.585
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
  2. Ekins S, Bravi G, Wikel JH, Wrighton SA: Three-dimensional-quantitative structure activity relationship analysis of cytochrome P-450 3A4 substrates. J Pharmacol Exp Ther. 1999 Oct;291(1):424-33. [PubMed:10490933 ]
Enzyme Details
6. Cytochrome P450 3A5
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:
CYP3A5
Uniprot ID:
P20815
Molecular weight:
57108.065
Enzyme Details
7. Cytochrome P450 3A7
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics.
Gene Name:
CYP3A7
Uniprot ID:
P24462
Molecular weight:
57525.03
Enzyme Details
8. Cytochrome P450 2C8
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. In the epoxidation of arachidonic acid it generates only 14,15- and 11,12-cis-epoxyeicosatrienoic acids. It is the principal enzyme responsible for the metabolism the anti-cancer drug paclitaxel (taxol).
Gene Name:
CYP2C8
Uniprot ID:
P10632
Molecular weight:
55824.275
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
9. Mineralocorticoid receptor
General function:
Involved in sequence-specific DNA binding transcription factor activity
Specific function:
Receptor for both mineralocorticoids (MC) such as aldosterone and glucocorticoids (GC) such as corticosterone or cortisol. Binds to mineralocorticoid response elements (MRE) and transactivates target genes. The effect of MC is to increase ion and water transport and thus raise extracellular fluid volume and blood pressure and lower potassium levels
Gene Name:
NR3C2
Uniprot ID:
P08235
Molecular weight:
107066.6
Enzyme Details
10. 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase type 1
General function:
Involved in 3-beta-hydroxy-delta5-steroid dehydrogenase activity
Specific function:
3-beta-HSD is a bifunctional enzyme, that catalyzes the oxidative conversion of Delta(5)-ene-3-beta-hydroxy steroid, and the oxidative conversion of ketosteroids. The 3-beta-HSD enzymatic system plays a crucial role in the biosynthesis of all classes of hormonal steroids. Efficiently catalyzes the transformation of pregnenolone to progesterone, 17-alpha-hydroxypregnenolone to 17-alpha-hydroxyprogesterone, DHEA to 4-androstenedione, dihydrotestosterone to 5-alpha-androstane-3 beta,17 beta-diol, dehydroepiandrosterone to androstenedione and 5-alpha-androstan-3 beta,17 beta-diol to 5-alpha-dihydrotestosterone.
Gene Name:
HSD3B1
Uniprot ID:
P14060
Molecular weight:
42251.25
Reactions
Cortisol + Hydrogen Ion + NADH → 11b,17a,21-Trihydroxypreg-nenolone + NADdetails

Transporters

Enzyme Details
1. Multidrug resistance protein 1
General function:
Involved in ATP binding
Specific function:
Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells
Gene Name:
ABCB1
Uniprot ID:
P08183
Molecular weight:
141477.3
References
  1. Schwab D, Fischer H, Tabatabaei A, Poli S, Huwyler J: Comparison of in vitro P-glycoprotein screening assays: recommendations for their use in drug discovery. J Med Chem. 2003 Apr 24;46(9):1716-25. [PubMed:12699389 ]
  2. Kim RB, Wandel C, Leake B, Cvetkovic M, Fromm MF, Dempsey PJ, Roden MM, Belas F, Chaudhary AK, Roden DM, Wood AJ, Wilkinson GR: Interrelationship between substrates and inhibitors of human CYP3A and P-glycoprotein. Pharm Res. 1999 Mar;16(3):408-14. [PubMed:10213372 ]
  3. Yates CR, Chang C, Kearbey JD, Yasuda K, Schuetz EG, Miller DD, Dalton JT, Swaan PW: Structural determinants of P-glycoprotein-mediated transport of glucocorticoids. Pharm Res. 2003 Nov;20(11):1794-803. [PubMed:14661924 ]
  4. Ueda K, Okamura N, Hirai M, Tanigawara Y, Saeki T, Kioka N, Komano T, Hori R: Human P-glycoprotein transports cortisol, aldosterone, and dexamethasone, but not progesterone. J Biol Chem. 1992 Dec 5;267(34):24248-52. [PubMed:1360010 ]
  5. Orlowski S, Mir LM, Belehradek J Jr, Garrigos M: Effects of steroids and verapamil on P-glycoprotein ATPase activity: progesterone, desoxycorticosterone, corticosterone and verapamil are mutually non-exclusive modulators. Biochem J. 1996 Jul 15;317 ( Pt 2):515-22. [PubMed:8713080 ]
Enzyme Details
2. ATP-binding cassette sub-family G member 2
General function:
Involved in ATP binding
Specific function:
Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. May be involved in brain-to-blood efflux. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. When overexpressed, the transfected cells become resistant to mitoxantrone, daunorubicin and doxorubicin, display diminished intracellular accumulation of daunorubicin, and manifest an ATP- dependent increase in the efflux of rhodamine 123
Gene Name:
ABCG2
Uniprot ID:
Q9UNQ0
Molecular weight:
72313.5
References
  1. Imai Y, Asada S, Tsukahara S, Ishikawa E, Tsuruo T, Sugimoto Y: Breast cancer resistance protein exports sulfated estrogens but not free estrogens. Mol Pharmacol. 2003 Sep;64(3):610-8. [PubMed:12920197 ]
Enzyme Details
3. Solute carrier organic anion transporter family member 1A2
General function:
Involved in transporter activity
Specific function:
Mediates the Na(+)-independent transport of organic anions such as sulfobromophthalein (BSP) and conjugated (taurocholate) and unconjugated (cholate) bile acids
Gene Name:
SLCO1A2
Uniprot ID:
P46721
Molecular weight:
74144.1
References
  1. Kanai N, Lu R, Bao Y, Wolkoff AW, Schuster VL: Transient expression of oatp organic anion transporter in mammalian cells: identification of candidate substrates. Am J Physiol. 1996 Feb;270(2 Pt 2):F319-25. [PubMed:8779893 ]
  2. Bossuyt X, Muller M, Hagenbuch B, Meier PJ: Polyspecific drug and steroid clearance by an organic anion transporter of mammalian liver. J Pharmacol Exp Ther. 1996 Mar;276(3):891-6. [PubMed:8786566 ]

Only showing the first 10 proteins. There are 19 proteins in total.

Show all enzymes and transporters