KEGG   COMPOUND: C05458Help
Entry
C05458                      Compound                               

Name
7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-one
Formula
C27H46O3
Exact mass
418.3447
Mol weight
418.6523
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1y C    24.4141  -18.5521
            2   C1y C    25.6063  -17.8841
            3   C1y C    23.2335  -17.8554
            4   C1y C    24.4141  -19.9285
            5   C1z C    25.6235  -16.5019
            6   C1z C    22.0356  -18.5406
            7   C1x C    23.2451  -16.4847
            8   C1x C    23.2220  -20.6139
            9   O1a O    25.0937  -21.1149
            10  C1y C    24.4372  -15.8051
            11  C1y C    22.0299  -19.9170
            12  C1x C    20.8434  -17.8495
            13  C1a C    22.0240  -17.1643
            14  C1x C    20.8434  -20.6081
            15  C1x C    19.6513  -18.5406
            16  C5x C    19.6513  -19.9170
            17  C1x C    28.0310  -17.8443
            18  C1x C    27.9782  -16.5321
            19  C1y C    26.8445  -15.8170
            20  C1a C    25.6235  -15.3819
            21  C1c C    26.8445  -14.4170
            22  C1b C    28.0295  -13.7324
            23  C1a C    25.6777  -13.1427
            24  C1b C    29.2145  -14.4163
            25  C1b C    30.4068  -13.7276
            26  C1c C    31.5960  -14.4139
            27  C1a C    32.7861  -13.7263
            28  C1a C    31.5964  -15.8198
            29  O1a O    24.4372  -14.4051
            30  O5x O    18.4385  -20.6158
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1 #Up
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16    7  10 1
            17    8  11 1
            18   15  16 1
            19    2  17 1
            20   17  18 1
            21   18  19 1
            22    5  19 1
            23    5  20 1 #Up
            24   19  21 1
            25   21  22 1
            26   21  23 1 #Down
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   26  28 1
            32   10  29 1 #Down
            33   16  30 2

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