KEGG   DRUG: Pregnenolone succinateHelp
Entry
D05604                      Drug                                   

Name
Pregnenolone succinate (USAN)
Formula
C25H36O5
Exact mass
416.2563
Mol weight
416.5503
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01792
Efficacy
Prohormone
Comment
Non-hormonal sterol derivative
Other DBs
CAS: 4598-67-8
PubChem: 47207267
ChEMBL: CHEMBL2105373
LigandBox: D05604
NIKKAJI: J8.752A
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1y C    21.4797  -16.2360
            2   C1y C    22.6572  -16.9169
            3   C1z C    20.3145  -16.9229
            4   C1x C    21.4674  -14.8747
            5   C1y C    23.8408  -16.2238
            6   C1x C    22.6695  -18.2783
            7   C2y C    20.3145  -18.2720
            8   C1x C    19.1432  -16.2606
            9   C1x C    22.6510  -14.1816
            10  C1z C    23.8471  -14.8625
            11  C1x C    26.2078  -16.2360
            12  C2x C    21.4919  -18.9529
            13  C1x C    19.1432  -18.9529
            14  C1x C    17.9841  -16.9229
            15  C1y C    25.0306  -14.1756
            16  C1x C    26.2141  -14.8685
            17  C1y C    17.9841  -18.2720
            18  C5a C    25.0306  -12.8019
            19  O7a O    16.8312  -18.9345
            20  C1a C    23.8776  -11.9920
            21  O5a O    26.1896  -11.9920
            22  C1a C    20.3145  -15.5151
            23  C1a C    23.8471  -13.4547
            24  C7a C    15.6248  -18.2346
            25  C1b C    14.4198  -18.9272
            26  O6a O    15.6277  -16.8386
            27  C1b C    13.2365  -18.2409
            28  C6a C    12.0370  -18.9304
            29  O6a O    10.8510  -18.2425
            30  O6a O    12.0340  -20.3450
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   15  18 1 #Up
            18   17  19 1 #Up
            19   18  20 1
            20   18  21 2
            21    7  12 2
            22    9  10 1
            23   14  17 1
            24   15  16 1
            25    3  22 1 #Up
            26   10  23 1 #Up
            27   19  24 1
            28   24  25 1
            29   24  26 2
            30   25  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 2

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