KEGG   COMPOUND: C05463Help
Entry
C05463                      Compound                               

Name
Taurodeoxycholate;
Taurodeoxycholic acid
Formula
C26H45NO6S
Exact mass
499.2968
Mol weight
499.7036
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST05 Steroid conjugates
   ST0504 Taurine conjugates
    C05463  Taurodeoxycholate
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1y C    15.5266  -18.1203
            2   C1y C    16.6331  -17.4319
            3   C1y C    14.2882  -17.4441
            4   C1x C    15.5338  -19.4723
            5   C1z C    16.6392  -16.0737
            6   C1x C    18.9841  -17.4447
            7   C1z C    13.1250  -18.1262
            8   C1x C    14.2747  -16.0920
            9   C1x C    14.2943  -20.1360
            10  C1y C    17.8146  -15.3977
            11  C1y C    15.4516  -15.4036
            12  C1a C    16.6649  -14.6603
            13  C1x C    18.9841  -16.0859
            14  C1y C    13.1250  -19.4661
            15  C1x C    11.9616  -17.4622
            16  C1a C    13.1189  -16.8045
            17  C1c C    17.7509  -13.5237
            18  O1a O    15.3315  -14.1144
            19  C1x C    11.9616  -20.1422
            20  C1x C    10.8166  -18.1262
            21  C1b C    18.9658  -12.8597
            22  C1a C    16.6073  -12.5799
            23  C1y C    10.8166  -19.4661
            24  C1b C    20.1109  -13.5297
            25  O1a O     9.6655  -20.1239
            26  C5a C    21.2620  -12.8720
            27  N1b N    22.4070  -13.5358
            28  O5a O    21.2686  -11.5442
            29  C1b C    23.5912  -12.8610
            30  C1b C    24.7870  -13.5513
            31  S4a S    26.1849  -13.5513
            32  O1d O    26.1849  -14.9492
            33  O1d O    26.1849  -12.1534
            34  O1d O    27.5828  -13.5513
BOND        37
            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
            17   11  18 1 #Down
            18   14  19 1
            19   15  20 1
            20   17  21 1
            21   17  22 1 #Down
            22   19  23 1
            23   21  24 1
            24   23  25 1 #Down
            25   24  26 1
            26   26  27 1
            27   26  28 2
            28    8  11 1
            29    9  14 1
            30   10  13 1
            31   20  23 1
            32   27  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 2
            36   31  33 2
            37   31  34 1

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