KEGG   COMPOUND: C15516Help
Entry
C15516                      Compound                               

Name
Taurohyocholate;
N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)taurine
Formula
C26H45NO7S
Exact mass
515.2917
Mol weight
515.703
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
NIKKAJI: 
KCF data Show

ATOM        35
            1   C1y C    26.6919  -21.2175
            2   C1y C    25.5004  -21.9008
            3   C1z C    26.7036  -19.8506
            4   C1x C    29.0578  -21.2466
            5   C1y C    24.3203  -21.2058
            6   C1y C    25.5004  -23.2737
            7   C1y C    27.9011  -19.1788
            8   C1x C    25.5236  -19.1556
            9   C1a C    26.6919  -18.4720
            10  C1x C    29.0752  -19.8797
            11  C1z C    23.1171  -21.8893
            12  C1x C    24.2620  -19.8332
            13  C1y C    24.3086  -23.9570
            14  O1a O    26.6862  -23.9630
            15  C1c C    27.9185  -17.8004
            16  C1y C    23.1111  -23.2677
            17  C1x C    21.9370  -21.2000
            18  C1a C    23.1054  -20.5108
            19  C1b C    29.1160  -17.1285
            20  C1a C    26.7270  -17.0994
            21  C1x C    21.9370  -23.9513
            22  C1x C    20.7338  -21.8893
            23  C1b C    30.3018  -17.8236
            24  C1y C    20.7338  -23.2677
            25  C5a C    31.4936  -17.1576
            26  O1a O    19.7524  -24.2376
            27  N1b N    32.6794  -17.8586
            28  O5a O    31.5110  -15.7850
            29  C1b C    33.8709  -17.1986
            30  C1b C    35.0567  -17.8937
            31  S4a S    36.4353  -17.8937
            32  O1d O    37.8081  -17.8937
            33  O1d O    36.4936  -16.5210
            34  O1d O    36.4936  -19.2723
            35  O1a O    24.3773  -25.3399
BOND        38
            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     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    6  14 1 #Down
            14    7  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 1 #Up
            18   15  19 1
            19   15  20 1 #Down
            20   16  21 1
            21   17  22 1
            22   19  23 1
            23   21  24 1
            24   23  25 1
            25   24  26 1 #Down
            26   25  27 1
            27   25  28 2
            28   27  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   31  33 2
            33   31  34 2
            34    7  10 1
            35    8  12 1
            36   13  16 1
            37   22  24 1
            38   13  35 1 #Down

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