KEGG   COMPOUND: C19999Help
Entry
C19999                      Compound                               

Name
Cylindrospermopsin
Formula
C15H21N5O7S
Exact mass
415.1162
Mol weight
415.4215
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Natural toxins [BR:br08009]
 Cyanotoxins
  Alkaloids
   Others
    C19999  Cylindrospermopsin
BRITE hierarchy
Other DBs
CAS: 
143545-90-8
PubChem: 
ChEBI: 
ChEMBL: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   C1y C    13.1600  -20.5800
            2   C1y C    13.1600  -21.9800
            3   C1y C    14.3724  -22.6800
            4   N1y N    15.5849  -21.9800
            5   C1y C    15.5849  -20.5800
            6   C1x C    14.3724  -19.8800
            7   C2y C    16.7973  -22.6800
            8   N2x N    18.0097  -21.9800
            9   C1y C    18.0097  -20.5800
            10  C1x C    16.7973  -19.8800
            11  C1x C    14.7347  -24.0323
            12  N1x N    16.4350  -24.0323
            13  O2a O    11.9476  -19.8800
            14  C1a C    11.9476  -22.6800
            15  C1c C    19.2024  -19.8800
            16  C8y C    20.4149  -20.5800
            17  N4x N    20.4149  -21.9798
            18  C8y C    21.6274  -22.6797
            19  N4x N    22.8398  -21.9797
            20  C8y C    22.8398  -20.5799
            21  C8x C    21.6273  -19.8800
            22  O5x O    24.0372  -19.8884
            23  O5x O    21.6274  -24.0800
            24  O1a O    19.2024  -18.4800
            25  S4a S    10.7521  -20.5704
            26  O1d O     9.5396  -21.2704
            27  O1d O    11.4629  -21.8021
            28  O1d O    10.0635  -19.3773
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    3  11 1
            13    7  12 1
            14   11  12 1
            15    1  13 1 #Up
            16    2  14 1 #Up
            17    9  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   16  21 2
            25   20  22 2
            26   18  23 2
            27   15  24 1 #Up
            28   13  25 1
            29   25  26 1
            30   25  27 2
            31   25  28 2

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