KEGG   COMPOUND: C05474Help
Entry
C05474                      Compound                               

Name
3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al
Formula
C21H32O5
Exact mass
364.225
Mol weight
364.4758
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        26
            1   C1x C     9.9400  -29.9600
            2   C1y C     9.9400  -31.3600
            3   C1x C    11.1524  -32.0600
            4   C1y C    12.3649  -31.3600
            5   C1z C    12.3649  -29.9600
            6   C1x C    11.1524  -29.2600
            7   C1x C    13.5773  -32.0600
            8   C1x C    14.7897  -31.3600
            9   C1y C    14.7897  -29.9600
            10  C1y C    13.5773  -29.2600
            11  C1y C    16.0022  -29.2600
            12  C1z C    16.0022  -27.8600
            13  C1x C    14.7897  -27.1600
            14  C1y C    13.5773  -27.8600
            15  C1x C    18.4270  -29.2600
            16  C1x C    18.4270  -27.8600
            17  C1y C    17.2146  -27.1600
            18  C5a C    17.2146  -25.7600
            19  C4a C    16.0022  -26.4600
            20  C1a C    12.3649  -28.5600
            21  O1a O    12.3669  -27.1612
            22  O1a O     8.7276  -32.0600
            23  C1b C    18.4311  -25.0577
            24  O5a O    16.0062  -25.0623
            25  O1a O    19.6286  -25.7492
            26  O4a O    14.7898  -25.7600
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 1
            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   17  18 1 #Up
            22   12  19 1 #Up
            23    5  20 1 #Up
            24   14  21 1 #Up
            25    2  22 1 #Down
            26   18  23 1
            27   18  24 2
            28   23  25 1
            29   19  26 2

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