KEGG   COMPOUND: C15649Help
Entry
C15649                      Compound                               

Name
Fexaramine
Formula
C32H36N2O3
Exact mass
496.2726
Mol weight
496.6398
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 Nuclear receptors
  Thyroid hormone like receptors
   Liver X receptor like receptor
    farnesoid X receptor
     C15649 Fexaramine
BRITE hierarchy
Other DBs
CAS: 574013-66-4
PubChem: 17396639
ChEBI: 80003
ChEMBL: CHEMBL192966
NIKKAJI: J2.795.664E
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8x C     9.7300  -20.5100
            2   C8y C     9.7300  -21.9100
            3   C8x C    10.9424  -22.6100
            4   C8x C    12.1549  -21.9100
            5   C8y C    12.1549  -20.5100
            6   C8x C    10.9424  -19.8100
            7   C8y C    13.3860  -19.7990
            8   C8x C    14.5912  -20.4947
            9   C8x C    15.8035  -19.7946
            10  C8y C    15.8035  -18.3946
            11  C8x C    14.5983  -17.6989
            12  C8x C    13.3859  -18.3990
            13  C1b C    17.0214  -17.6912
            14  N1c N    18.2334  -18.3907
            15  C5a C    19.4123  -17.7098
            16  C1y C    20.6081  -18.4002
            17  C8y C    18.2340  -19.8096
            18  C8x C    16.9965  -20.5252
            19  C8x C    16.9975  -21.9252
            20  C8x C    18.2104  -22.6244
            21  C8y C    19.4479  -21.9087
            22  C8x C    19.4469  -20.5087
            23  C1x C    20.6083  -19.8097
            24  C1x C    21.8208  -20.5095
            25  C1x C    23.0331  -19.8093
            26  C1x C    23.0329  -18.3998
            27  C1x C    21.8204  -17.7000
            28  C2b C    20.6704  -22.6135
            29  O5a O    19.4122  -16.3102
            30  C2b C    21.8685  -21.9206
            31  C7a C    23.0554  -22.6048
            32  O7a O    24.2460  -21.9162
            33  O6a O    23.0565  -24.0097
            34  C1a C    25.4367  -22.6026
            35  N1c N     8.5176  -22.6100
            36  C1a C     7.3221  -21.9196
            37  C1a C     8.5175  -24.0098
BOND        40
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   14  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   17  22 1
            25   16  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   16  27 1
            31   21  28 1
            32   15  29 2
            33   28  30 2
            34   30  31 1
            35   31  32 1
            36   31  33 2
            37   32  34 1
            38    2  35 1
            39   35  36 1
            40   35  37 1

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