Hmdb loader

Showing metabocard for Cortisol (HMDB0000063)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (16)transporters (3) Show 19 proteinsXML
enzymes (16)transporters (3) Show 19 proteins
Read more...Show more...Show more...Show more...Show more...Show more...Show more...Show more...
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
Description
Structure
Thumb
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
Download

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
Download

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
Download

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
Download

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
Download
View in JSmolView Stereo Labels
Synonyms
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
Disposition
Source
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
Predicted Chromatographic Properties
Spectra
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
Abnormal Concentrations
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)Not Available
General References

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