KEGG   COMPOUND: C07654Help
Entry
C07654                      Compound                               

Name
Methacycline;
Metacycline
Formula
C22H22N2O8
Exact mass
442.1376
Mol weight
442.4187
Structure
Mol fileKCF fileDB search
Remark
Same as: D04972
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA05 Metacycline
      D04972  Methacycline (USAN)
BRITE hierarchy
Other DBs
CAS: 914-00-1
PubChem: 9856
ChEBI: 6805
ChEMBL: CHEMBL249837
NIKKAJI: J7.166H
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8x C    26.0400  -17.2200
            2   C8x C    26.0400  -18.6200
            3   C8y C    27.2300  -19.3200
            4   C8y C    28.4900  -18.6200
            5   C8y C    28.4900  -17.2200
            6   C8x C    27.2300  -16.5200
            7   C5x C    29.6800  -19.3200
            8   C2y C    30.8700  -18.6200
            9   C1y C    30.8700  -17.2200
            10  C2y C    29.6800  -16.5200
            11  C2y C    32.1300  -19.3200
            12  C1z C    33.3200  -18.6200
            13  C1y C    33.3200  -17.2200
            14  C1y C    32.1300  -16.5200
            15  C5x C    34.5100  -19.3200
            16  C2y C    35.7700  -18.6200
            17  C2y C    35.7700  -17.2200
            18  C1y C    34.5100  -16.5200
            19  C2a C    29.6800  -15.1200
            20  O5x O    29.6800  -20.7200
            21  O5x O    34.5100  -20.7200
            22  O1a O    27.2300  -20.7200
            23  O1a O    32.1300  -20.7200
            24  C5a C    36.9600  -19.3200
            25  N1a N    38.1500  -18.6200
            26  O5a O    36.9600  -20.7200
            27  O1a O    36.9600  -16.5200
            28  O1a O    32.1300  -14.9100
            29  N1c N    34.5100  -14.3500
            30  O1a O    33.3200  -20.0200
            31  C1a C    35.7000  -13.6500
            32  C1a C    33.3200  -13.6500
BOND        35
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22   10  19 2
            23    7  20 2
            24   15  21 2
            25    3  22 1
            26   11  23 1
            27   16  24 1
            28   24  25 1
            29   24  26 2
            30   17  27 1
            31   14  28 1 #Down
            32   18  29 1 #Down
            33   12  30 1 #Down
            34   29  31 1
            35   29  32 1

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