KEGG   COMPOUND: C05485Help
Entry
C05485                      Compound                               

Name
21-Hydroxypregnenolone
Formula
C21H32O3
Exact mass
332.2351
Mol weight
332.477
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid hormone biosynthesis
Enzyme
1.1.1.145       1.14.14.16      5.3.3.1
Other DBs
CAS: 
1164-98-3
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C1x C    11.1300  -24.5000
            2   C1y C    11.1300  -25.9000
            3   C1x C    12.3424  -26.6000
            4   C2y C    13.5549  -25.9000
            5   C1z C    13.5549  -24.5000
            6   C1x C    12.3424  -23.8000
            7   C2x C    14.7673  -26.6000
            8   C1x C    15.9797  -25.9000
            9   C1y C    15.9797  -24.5000
            10  C1y C    14.7673  -23.8000
            11  C1y C    17.1922  -23.8000
            12  C1z C    17.1922  -22.4000
            13  C1x C    15.9797  -21.7000
            14  C1x C    14.7673  -22.4000
            15  C1x C    19.6170  -23.8000
            16  C1x C    19.6170  -22.4000
            17  C1y C    18.4046  -21.7000
            18  O1a O     9.9176  -26.6000
            19  C1a C    13.5549  -23.1002
            20  C5a C    18.4046  -20.3000
            21  C1a C    17.1922  -21.0000
            22  C1b C    19.6211  -19.5977
            23  O5a O    17.1962  -19.6023
            24  O1a O    20.8186  -20.2892
BOND        27
            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 2
            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    2  18 1
            22    5  19 1 #Up
            23   17  20 1 #Up
            24   12  21 1 #Up
            25   20  22 1
            26   20  23 2
            27   22  24 1

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