KEGG   COMPOUND: C14817Help
Entry
C14817                      Compound                               

Name
BMS 379224
Formula
C23H20F2N5O5PS
Exact mass
547.0891
Mol weight
547.471
Structure
Mol fileKCF fileDB search
Pathway
map07026  Antifungal agents
Other DBs
PubChem: 17395815
ChEBI: 34549
ChEMBL: CHEMBL333325
NIKKAJI: J2.789.459C
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8y C    23.8017  -15.4863
            2   C1c C    24.9955  -14.7841
            3   C1d C    26.2595  -15.4863
            4   C1a C    24.9955  -13.3797
            5   S2x S    23.3804  -16.8205
            6   C8x C    21.9759  -16.8205
            7   C8y C    21.5546  -15.4863
            8   N5x N    22.6781  -14.6437
            9   C8x C    17.9030  -14.7841
            10  C8y C    17.9030  -13.3797
            11  C8x C    19.0968  -12.6775
            12  C8x C    20.3608  -13.3797
            13  C8y C    20.3608  -14.7841
            14  C8x C    19.0968  -15.4863
            15  C3b C    16.7093  -12.6775
            16  N3a N    15.5155  -11.9752
            17  C8y C    26.2595  -16.8908
            18  C1b C    27.4532  -14.7841
            19  N4y N    27.4532  -13.3797
            20  N5x N    26.3297  -12.6072
            21  C8x C    26.7510  -11.2730
            22  N5x N    28.1554  -11.2730
            23  C8x C    28.5768  -12.5370
            24  C8y C    27.5234  -17.5930
            25  C8x C    27.5234  -18.9974
            26  C8y C    26.3297  -19.6996
            27  C8x C    25.0657  -18.9974
            28  C8x C    25.0657  -17.5930
            29  X   F    26.3297  -21.1041
            30  X   F    28.7172  -16.8205
            31  O2a O    27.5234  -15.9077
            32  C1b C    28.5721  -14.9778
            33  O2b O    29.8900  -15.4172
            34  P1b P    31.2900  -15.4000
            35  O1c O    31.2900  -14.0000
            36  O1c O    31.2900  -16.8000
            37  O1c O    32.6900  -15.4000
BOND        40
            1     1   2 1
            2     2   3 1
            3     2   4 1 #Down
            4     5   6 1
            5     6   7 2
            6     7   8 1
            7     8   1 2
            8     5   1 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14    9  14 1
            15   13   7 1
            16   10  15 1
            17   15  16 3
            18    3  17 1
            19    3  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   19  23 1
            26   17  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   17  28 1
            32   26  29 1
            33   24  30 1
            34    3  31 1 #Up
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 2
            39   34  36 1
            40   34  37 1

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