KEGG   COMPOUND: C05468Help
Entry
C05468                      Compound                               

Name
5beta-Cyprinolsulfate
Formula
C27H48O8S
Exact mass
532.307
Mol weight
532.7302
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Primary bile acid biosynthesis
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST05 Steroid conjugates
   ST0502 Sulfates
    C05468  5beta-Cyprinolsulfate
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        36
            1   C1y C    23.7588  -21.6911
            2   C1y C    25.0139  -21.0270
            3   C1y C    22.5852  -20.9985
            4   C1y C    23.7588  -23.0595
            5   C1z C    24.9611  -19.6530
            6   C1z C    21.3944  -21.6797
            7   C1x C    22.5966  -19.6359
            8   C1x C    22.5737  -23.7407
            9   O1a O    24.4343  -24.2388
            10  C1y C    23.7817  -18.9604
            11  C1a C    25.0197  -18.2848
            12  C1y C    21.3888  -23.0480
            13  C1x C    20.2152  -20.9927
            14  C1a C    21.4530  -20.3115
            15  O1a O    23.7761  -17.5863
            16  C1x C    20.2152  -23.7350
            17  C1x C    19.0243  -21.6797
            18  C1y C    19.0243  -23.0480
            19  O1a O    17.6982  -24.0860
            20  C1x C    27.3670  -21.0040
            21  C1x C    27.3842  -19.5600
            22  C1y C    26.1458  -18.9070
            23  C1c C    26.1458  -17.0870
            24  C1b C    27.3868  -16.3703
            25  C1a C    24.9563  -16.3999
            26  C1b C    28.5908  -17.0653
            27  C1b C    29.7737  -16.3821
            28  C1c C    30.9674  -17.0713
            29  C1b C    32.1554  -16.3852
            30  C1b C    30.9677  -18.4797
            31  O1a O    32.1594  -19.1677
            32  O2a O    33.3465  -17.0728
            33  S4a S    34.7465  -17.0728
            34  O1d O    36.1465  -17.0728
            35  O1d O    34.7464  -15.6802
            36  O1d O    34.7467  -18.4797
BOND        39
            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    5  11 1
            11    6  12 1
            12    6  13 1
            13    6  14 1
            14   10  15 1 #Down
            15   12  16 1
            16   13  17 1
            17   16  18 1
            18   18  19 1 #Down
            19    7  10 1
            20    8  12 1
            21   17  18 1
            22    2  20 1
            23   20  21 1
            24   21  22 1
            25    5  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 1
            29   24  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   28  30 1
            34   30  31 1
            35   29  32 1
            36   32  33 1
            37   33  34 2
            38   33  35 1
            39   33  36 2

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