KEGG   COMPOUND: C18298Help
Entry
C18298                      Compound                               

Name
5a,11a-Dehydrochlortetracycline;
Dehydrochlortetracycline;
5a,11a-Dehydro-7-chlorotetracycline
Formula
C22H21ClN2O8
Exact mass
476.0986
Mol weight
476.8637
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
PubChem: 103061480
ChEBI: 81649
KCF data Show

ATOM        33
            1   C2y C    27.5289  -17.0349
            2   C2y C    27.5405  -15.6345
            3   C5x C    28.7367  -17.7410
            4   C5x C    26.3151  -17.7293
            5   C1x C    28.7599  -14.9401
            6   C1z C    26.3268  -14.9227
            7   C1z C    29.9503  -17.0524
            8   O5x O    28.7950  -19.1414
            9   C8y C    25.1073  -17.0233
            10  O5x O    26.3035  -19.1179
            11  C1y C    29.9677  -15.6519
            12  C8y C    25.1132  -15.6229
            13  C5x C    31.1464  -17.7643
            14  O1a O    29.9327  -18.4469
            15  C8y C    23.8995  -17.7235
            16  C1y C    31.1814  -14.9694
            17  C8y C    23.8995  -14.9168
            18  C2y C    32.4359  -17.0874
            19  O5x O    31.1232  -19.1705
            20  C8x C    22.6799  -17.0233
            21  O1a O    23.8995  -19.1238
            22  C2y C    32.3834  -15.6870
            23  N1c N    31.1755  -13.5690
            24  C8x C    22.6799  -15.6229
            25  C5a C    33.5739  -17.8051
            26  O1a O    33.6147  -15.0044
            27  N1a N    34.7992  -17.1224
            28  O5a O    33.6205  -19.2055
            29  C1a C    29.9587  -12.8733
            30  C1a C    32.3695  -12.8731
            31  C1a C    26.6893  -13.5699
            32  O1a O    25.6266  -13.7099
            33  X   Cl   23.9011  -13.5103
BOND        36
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Down
            14    9  15 1
            15   11  16 1
            16   12  17 1
            17   13  18 1
            18   13  19 2
            19   15  20 2
            20   15  21 1
            21   16  22 1
            22   16  23 1 #Down
            23   17  24 2
            24   18  25 1
            25   22  26 1
            26   25  27 1
            27   25  28 2
            28    7  11 1
            29    9  12 2
            30   18  22 2
            31   20  24 1
            32   23  29 1
            33   23  30 1
            34    6  31 1 #Down
            35    6  32 1 #Up
            36   17  33 1

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