KEGG   COMPOUND: C00892Help
Entry
C00892                      Compound                               

Name
Pregnan-21-ol;
5-beta-Pregnan-21-ol
Formula
C21H36O
Exact mass
304.2766
Mol weight
304.5099
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
1.1.1.150       1.1.1.151
Other DBs
PubChem: 4148
ChEBI: 15938
LIPIDMAPS: LMST02030174
NIKKAJI: J2.730.992E
KCF data Show

ATOM        22
            1   C1y C    28.0850  -20.2324
            2   C1y C    29.2770  -19.5344
            3   C1y C    26.8991  -19.5468
            4   C1x C    28.0974  -21.6035
            5   C1z C    29.2833  -18.1571
            6   C1x C    31.6610  -19.5468
            7   C1z C    25.7256  -20.2385
            8   C1x C    26.8867  -18.1757
            9   C1x C    26.9114  -22.2768
            10  C1y C    30.4752  -17.4716
            11  C1x C    28.0787  -17.4777
            12  C1a C    29.2545  -16.7489
            13  C1x C    31.6672  -18.1694
            14  C1y C    25.7256  -21.5972
            15  C1x C    24.5459  -19.5654
            16  C1a C    25.6681  -18.8428
            17  C1b C    30.4813  -16.1313
            18  C1x C    24.5459  -22.2829
            19  C1x C    23.3787  -20.2385
            20  C1b C    31.6486  -15.4580
            21  C1x C    23.3787  -21.5972
            22  O1a O    32.8594  -16.1578
BOND        25
            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    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1 #Up
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21    8  11 1
            22    9  14 1
            23   10  13 1
            24   19  21 1
            25   20  22 1

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