KEGG   COMPOUND: C01780Help
Entry
C01780                      Compound                               

Name
Aldosterone;
11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al
Formula
C21H28O5
Exact mass
360.1937
Mol weight
360.444
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid hormone biosynthesis
Metabolic pathways
Aldosterone-regulated sodium reabsorption
Glucocorticoid and meneralocorticoid receptor agonists/antagonists
Module
M00108  
C21-Steroid hormone biosynthesis, progesterone => corticosterone/aldosterone
Enzyme
1.3.1.3         1.14.15.4       1.14.15.5
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  21-Carbon atoms
   Pregnane and derivatives
    C01780  Aldosterone
 Hormones and transmitters
  Steroid hormones
   Mineralocorticoids
    C01780  Aldosterone
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AA Mineralocorticoids
     H02AA01 Aldosterone
      D10528  Aldosterone
BRITE hierarchy
Other DBs
CAS: 
52-39-1
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1z C    27.5594  -21.6461
            2   C1y C    27.5594  -23.0076
            3   C1y C    28.7457  -20.9622
            4   C1x C    26.3790  -20.9622
            5   C4a C    27.5537  -20.2843
            6   C1y C    26.3790  -23.6855
            7   C1x C    29.9204  -23.0076
            8   C1x C    29.9204  -21.6461
            9   C5a C    28.7517  -19.5714
            10  C1y C    25.1927  -21.6461
            11  O4a O    26.3497  -19.5891
            12  C1y C    25.1927  -23.0076
            13  C1x C    26.3731  -25.0530
            14  C1b C    29.9555  -18.8818
            15  O5a O    27.5477  -18.8761
            16  O1a O    24.0121  -20.9622
            17  C1z C    24.0064  -23.6855
            18  C1x C    25.1927  -25.7369
            19  O1a O    31.1594  -19.5774
            20  C2y C    24.0064  -25.0530
            21  C1x C    22.8375  -23.0076
            22  C1a C    23.9947  -22.3240
            23  C2x C    22.8375  -25.7369
            24  C1x C    21.6511  -23.6855
            25  C5x C    21.6511  -25.0530
            26  O5x O    20.4707  -25.7369
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 2
            11    6  12 1
            12    6  13 1
            13    9  14 1
            14    9  15 2
            15   10  16 1 #Up
            16   12  17 1
            17   13  18 1
            18   14  19 1
            19   17  20 1
            20   17  21 1
            21   17  22 1 #Up
            22   20  23 2
            23   21  24 1
            24   23  25 1
            25   25  26 2
            26    7   8 1
            27   10  12 1
            28   18  20 1
            29   24  25 1

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