KEGG   COMPOUND: C15557Help
Entry
C15557                      Compound                               

Name
Glycolithocholate;
Glycolithocholic acid
Formula
C26H43NO4
Exact mass
433.3192
Mol weight
433.6239
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Enzyme
Other DBs
CAS: 
474-74-8
PubChem: 
ChEBI: 
LIPIDMAPS: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1y C    24.9651  -21.3684
            2   C1y C    26.1628  -20.6788
            3   C1y C    23.7849  -20.6847
            4   C1x C    24.9651  -22.7354
            5   C1z C    26.1804  -19.3292
            6   C1x C    28.4881  -20.7081
            7   C1z C    22.5813  -21.3684
            8   C1x C    23.7849  -19.3116
            9   C1x C    23.7849  -23.4131
            10  C1y C    27.3477  -18.6806
            11  C1x C    24.9651  -18.6339
            12  C1a C    26.1979  -17.9680
            13  C1x C    28.4998  -19.3643
            14  C1y C    22.6396  -22.7179
            15  C1x C    21.4069  -20.6847
            16  C1a C    22.5813  -19.9893
            17  C1c C    27.3710  -17.3195
            18  C1x C    21.3895  -23.3957
            19  C1x C    20.2034  -21.3684
            20  C1b C    28.5642  -16.6464
            21  C1a C    26.1921  -16.3202
            22  C1y C    20.2558  -22.7179
            23  C1b C    29.7326  -17.3546
            24  O1a O    18.9752  -23.3957
            25  C5a C    30.9246  -16.6884
            26  N1b N    32.0930  -17.3895
            27  O5a O    30.9421  -15.3270
            28  C1b C    33.3064  -16.7077
            29  C6a C    34.4999  -17.4238
            30  O6a O    34.4763  -18.8214
            31  O6a O    35.7220  -16.7452
BOND        34
            1     2   5 1
            2     2   6 1
            3     3   7 1
            4     3   8 1
            5     4   9 1
            6     5  10 1
            7     5  11 1
            8     5  12 1 #Up
            9     6  13 1
            10    7  14 1
            11    7  15 1
            12    7  16 1 #Up
            13   10  17 1
            14   14  18 1
            15   15  19 1
            16   17  20 1
            17   17  21 1 #Down
            18   18  22 1
            19   20  23 1
            20   22  24 1 #Down
            21   23  25 1
            22   25  26 1
            23   25  27 2
            24    8  11 1
            25    9  14 1
            26   10  13 1
            27   19  22 1
            28   26  28 1
            29   28  29 1
            30    1   2 1
            31    1   3 1
            32   29  30 2
            33    1   4 1
            34   29  31 1

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