KEGG   COMPOUND: C18039
Entry
C18039                      Compound                               
Name
Aldosterone hemiacetal;
11beta,18-Epoxy-18,21-dihydroxypregn-4-ene-3,20-dione
Formula
C21H28O5
Exact mass
360.1937
Mol weight
360.444
Structure
Reaction
Pathway
map00140  Steroid hormone biosynthesis
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives
    C18039  Aldosterone hemiacetal
Other DBs
CAS: 6251-69-0
PubChem: 96024259
ChEBI: 30834
LIPIDMAPS: LMST02030145
LinkDB
KCF data

ATOM        26
            1   C1x C    33.1700  -24.1657
            2   C5x C    33.1700  -25.4890
            3   C2x C    34.3539  -26.1854
            4   C2y C    35.5379  -25.4890
            5   C1z C    35.5379  -24.1657
            6   C1x C    34.3539  -23.4693
            7   C1x C    36.7217  -26.1854
            8   C1x C    37.9057  -25.4890
            9   C1y C    37.9057  -24.1657
            10  C1y C    36.7217  -23.4693
            11  C1y C    39.0896  -23.4693
            12  C1z C    39.0896  -22.0764
            13  C1x C    37.9057  -21.3800
            14  C1y C    36.7217  -22.0764
            15  O5x O    31.9860  -26.1854
            16  C1a C    35.5379  -22.7729
            17  C1y C    38.6641  -20.7532
            18  O1a O    38.1813  -19.7859
            19  O2x O    37.4182  -20.7531
            20  C1x C    41.5805  -23.4693
            21  C1x C    41.5805  -22.0764
            22  C1y C    40.3432  -21.4490
            23  C5a C    40.3432  -20.0512
            24  C1b C    41.5676  -19.3465
            25  O1a O    42.7781  -20.0453
            26  O5a O    39.1391  -19.3550
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   17  18 1
            20   17  19 1
            21   14  19 1
            22   12  17 1 #Up
            23   11  20 1
            24   20  21 1
            25   21  22 1
            26   12  22 1
            27   22  23 1 #Up
            28   23  24 1
            29   24  25 1
            30   23  26 2

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