KEGG   COMPOUND: C07004
Entry
C07004                      Compound                               
Name
Fludrocortisone
Formula
C21H29FO5
Exact mass
380.1999
Mol weight
380.45
Structure
Remark
Same as: D07967
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C07004  Fludrocortisone
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
     H02AA02 Fludrocortisone
      D07967  Fludrocortisone (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG00506  Fludrocortisone
    D07967  Fludrocortisone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C2 (MR)
     D07967  Fludrocortisone (INN)
Other DBs
CAS: 127-31-1
PubChem: 9217
ChEBI: 50885
LIPIDMAPS: LMST02030103
PDB-CCD: ZK5[PDBj]
NIKKAJI: J10.052H
LinkDB
KCF data

ATOM        27
            1   C1x C    21.9800  -19.8100
            2   C5x C    21.9800  -21.2100
            3   C2x C    23.1700  -21.9100
            4   C2y C    24.4300  -21.2100
            5   C1z C    24.4300  -19.8100
            6   C1x C    23.1700  -19.1100
            7   C1x C    25.6200  -21.9100
            8   C1x C    26.8100  -21.2100
            9   C1y C    26.8100  -19.8100
            10  C1z C    25.6200  -19.1100
            11  C1y C    28.0000  -19.1100
            12  C1z C    28.0000  -17.7100
            13  C1x C    26.8100  -17.0100
            14  C1y C    25.6200  -17.7100
            15  O5x O    20.8600  -21.9100
            16  C1a C    24.4300  -18.4100
            17  O1a O    24.4300  -17.0100
            18  C1a C    28.0000  -16.3100
            19  X   F    25.6200  -20.5100
            20  C1x C    30.4249  -19.1100
            21  C1x C    30.4249  -17.7100
            22  C1z C    29.2124  -17.0100
            23  C5a C    29.2124  -15.4002
            24  C1b C    27.9832  -14.6903
            25  O5a O    30.4080  -14.7098
            26  O1a O    26.7792  -15.3854
            27  O1a O    30.4079  -16.3196
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 2
            18    5  16 1 #Up
            19   14  17 1 #Up
            20   12  18 1 #Up
            21   10  19 1 #Down
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   22  23 1 #Up
            27   23  24 1
            28   23  25 2
            29   24  26 1
            30   22  27 1 #Down

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