KEGG   COMPOUND: C18127Help
Entry
C18127                      Compound                               

Name
beta-Funaltrexamine;
beta-FNA
Formula
C25H30N2O6
Exact mass
454.2104
Mol weight
454.5155
Structure
Mol fileKCF fileDB search
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: peptide receptors
   Opioid
    mu-opioid receptor
     C18127  beta-Funaltrexamine
BRITE hierarchy
Other DBs
CAS: 72782-05-9
PubChem: 96024344
ChEBI: 81527
ChEMBL: CHEMBL473136
NIKKAJI: J128.642K
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1z C    22.6100  -28.3500
            2   C8y C    22.6100  -27.0200
            3   C1z C    23.8000  -29.0500
            4   C1y C    21.4900  -28.9800
            5   C1x C    23.8000  -27.6500
            6   C8y C    21.4900  -26.3900
            7   C8y C    23.8000  -26.3900
            8   C1y C    24.8500  -28.3500
            9   C1x C    23.8000  -30.3100
            10  O2x O    20.1600  -27.5800
            11  C1y C    21.4900  -30.3100
            12  C1x C    25.9700  -27.6500
            13  C8y C    21.4900  -25.0600
            14  C1x C    24.8500  -27.0900
            15  C8x C    23.8000  -25.0600
            16  N1y N    25.9700  -29.0500
            17  C1x C    22.6100  -31.0100
            18  N1b N    20.3700  -31.0100
            19  C8x C    22.6800  -24.4300
            20  O1a O    20.3700  -24.4300
            21  O1a O    24.9900  -29.9600
            22  C1b C    27.1600  -28.3500
            23  C1y C    28.3500  -29.0500
            24  C1x C    29.0500  -30.3100
            25  C1x C    29.7500  -29.0500
            26  C5a C    19.1338  -30.3529
            27  C2b C    17.9172  -31.1129
            28  O5a O    19.0854  -28.9802
            29  C2b C    16.6698  -30.4499
            30  C7a C    15.4755  -31.1964
            31  O7a O    14.2449  -30.5424
            32  C1a C    13.0434  -31.2940
            33  O6a O    15.4556  -32.6189
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 1 #Up
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   22  23 1
            27   22  16 1
            28   24  25 1
            29   25  23 1
            30   23  24 1
            31   18  26 1
            32   26  27 1
            33   26  28 2
            34   27  29 2
            35   29  30 1
            36   30  31 1
            37   31  32 1
            38   30  33 2

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