KEGG   COMPOUND: C19379Help
Entry
C19379                      Compound                               

Name
Cyclochlorotine
Formula
C24H31Cl2N5O7
Exact mass
571.1601
Mol weight
572.4382
Structure
Mol fileKCF fileDB search
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19379  Cyclochlorotine
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C19379  Cyclochlorotine
BRITE hierarchy
Other DBs
CAS: 12663-46-6
PubChem: 124490051
ChEBI: 82432
LinkDB All DBs
KCF data Show

ATOM        38
            1   N1x N    24.5870  -15.6955
            2   C5x C    24.5870  -17.0972
            3   C1x C    25.8008  -17.7980
            4   C5x C    27.0147  -15.6955
            5   C1y C    25.8008  -14.9947
            6   C1y C    25.8008  -19.1996
            7   C8y C    24.5703  -19.9102
            8   N1x N    27.2024  -19.1996
            9   C1y C    28.3938  -19.9004
            10  C5x C    29.6077  -19.1996
            11  O5x O    23.3732  -17.7980
            12  C8x C    23.3648  -19.2143
            13  C8x C    22.1510  -19.9151
            14  C8x C    22.1510  -21.3168
            15  C8x C    23.3565  -22.0128
            16  C8x C    24.5703  -21.3119
            17  C1b C    25.8008  -13.5933
            18  N1y N    28.2473  -14.9837
            19  C1y C    29.6489  -14.9837
            20  C5x C    30.8627  -15.6845
            21  N1x N    30.8627  -17.0862
            22  C1y C    32.1050  -17.8034
            23  C5x C    32.1050  -19.2050
            24  N1x N    30.8792  -19.9129
            25  C1y C    30.0820  -13.6507
            26  C1y C    28.9481  -12.8268
            27  C1x C    27.8142  -13.6507
            28  X   Cl   28.9482  -11.4207
            29  X   Cl   31.3855  -13.2273
            30  O5x O    27.0147  -17.0972
            31  C1b C    28.3938  -21.3021
            32  O5x O    29.5991  -17.9386
            33  O5x O    33.3020  -19.8961
            34  C1b C    33.3065  -17.1095
            35  C1a C    34.4930  -17.7944
            36  O1a O    24.5702  -12.8827
            37  O5x O    32.0951  -14.9726
            38  O1a O    27.1633  -22.0127
BOND        40
            1     1   2 1
            2     2   3 1
            3     4   5 1
            4     1   5 1
            5     3   6 1
            6     6   7 1 #Up
            7     6   8 1
            8     8   9 1
            9     9  10 1
            10    2  11 2
            11    7  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16    7  16 1
            17    5  17 1 #Up
            18    4  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25   24  10 1
            26   19  25 1
            27   25  26 1
            28   26  27 1
            29   18  27 1
            30   26  28 1
            31   25  29 1
            32    4  30 2
            33    9  31 1 #Down
            34   10  32 2
            35   23  33 2
            36   22  34 1 #Up
            37   34  35 1
            38   17  36 1
            39   20  37 2
            40   31  38 1

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