KEGG   COMPOUND: C05490
Entry
C05490                      Compound                               
Name
11-Dehydrocorticosterone;
21-Hydroxypregn-4-ene-3,11,20-trione
Formula
C21H28O4
Exact mass
344.1988
Mol weight
344.4446
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
Enzyme
1.1.1.146       1.1.1.-
Brite
Compounds with biological roles [BR:br08001]
 Hormones and transmitters
  Steroid hormones
   Mineralocorticoids
    C05490  11-Dehydrocorticosterone
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C05490  11-Dehydrocorticosterone
Other DBs
CAS: 72-23-1
PubChem: 7849
ChEBI: 78600
LIPIDMAPS: LMST02030192
3DMET: B05062
NIKKAJI: J5.250G
KCF data

ATOM        25
            1   C1x C    14.4602  -17.3162
            2   C5x C    14.4602  -18.6812
            3   C2x C    15.6423  -19.3637
            4   C2y C    16.8245  -18.6812
            5   C1z C    16.8245  -17.3162
            6   C1x C    15.6423  -16.6337
            7   C1x C    18.0066  -19.3637
            8   C1x C    19.1887  -18.6812
            9   C1y C    19.1887  -17.3162
            10  C1y C    18.0066  -16.6337
            11  C1y C    20.3709  -16.6337
            12  C1z C    20.3709  -15.2687
            13  C1x C    19.1887  -14.5862
            14  C5x C    18.0066  -15.2687
            15  C1x C    22.7350  -16.6337
            16  C1x C    22.7350  -15.2687
            17  C1y C    21.5530  -14.5862
            18  C1a C    20.3709  -13.9037
            19  C5a C    21.5530  -13.2212
            20  C1b C    22.7390  -12.5365
            21  O5a O    20.3748  -12.5410
            22  O1a O    23.9066  -13.2107
            23  O5x O    16.8265  -14.5874
            24  C1a C    16.8245  -15.9512
            25  O5x O    13.2781  -19.3637
BOND        28
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1
            22   17  19 1 #Up
            23   19  20 1
            24   19  21 2
            25   20  22 1
            26   14  23 2
            27    5  24 1 #Up
            28    2  25 2

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