KEGG   COMPOUND: C20140Help
Entry
C20140                      Compound                               

Name
4''-O-Carbamoyl ansamitocinoside P-3;
ACGP-3
Formula
C38H52ClN3O15
Exact mass
825.3087
Mol weight
826.2836
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Enzyme
2.1.3.-
Other DBs
PubChem: 135626600
ChEBI: 144408
KCF data Show

ATOM        57
            1   C8y C    13.8686  -16.7872
            2   C8x C    13.8686  -18.1739
            3   C8y C    15.0472  -18.8672
            4   C8x C    16.2952  -18.1739
            5   C8y C    16.2952  -16.7872
            6   C8y C    15.0472  -16.0939
            7   C1y C    23.5059  -18.1739
            8   C1x C    22.2579  -18.8672
            9   C1z C    22.2579  -20.2539
            10  C1y C    21.0792  -20.9472
            11  C2x C    19.8312  -20.2539
            12  C2x C    18.6526  -20.9472
            13  C2x C    17.4739  -20.2539
            14  C2y C    16.2259  -20.9472
            15  O2a O    21.0792  -22.3339
            16  C1x C    15.0472  -20.2539
            17  C1a C    16.2259  -22.3339
            18  C1y C    23.5059  -16.7872
            19  N1y N    17.2659  -15.6086
            20  C5x C    18.6526  -15.6086
            21  C1x C    19.3459  -14.3606
            22  C1y C    20.7325  -14.3606
            23  C1z C    21.4259  -15.5392
            24  C1y C    22.8125  -15.5392
            25  O5x O    19.3459  -16.7872
            26  O7a O    21.4259  -13.2513
            27  C1a C    20.7325  -16.7179
            28  C1a C    24.8232  -16.4406
            29  O2a O    12.6899  -16.0939
            30  X   Cl   15.0472  -14.7072
            31  C1a C    19.9005  -23.0272
            32  C1a C    11.4419  -16.8566
            33  N1x N    23.4365  -20.9472
            34  C7x C    24.6845  -20.2539
            35  O7x O    24.6845  -18.8672
            36  O6a O    25.8632  -20.9472
            37  O1a O    22.2579  -21.6405
            38  C7a C    22.8125  -13.2513
            39  C1c C    23.5059  -12.0726
            40  O6a O    23.5059  -14.4299
            41  C1a C    24.8925  -12.0726
            42  C1a C    22.8125  -10.8939
            43  O2x O    22.1192  -14.3606
            44  C1y C    16.0872  -11.3793
            45  C1y C    16.0872  -12.7659
            46  C1y C    17.2659  -13.4593
            47  O2x O    18.5139  -12.7659
            48  C1y C    18.5139  -11.3793
            49  C1y C    17.2659  -10.6859
            50  O1a O    14.9086  -13.4593
            51  O1a O    14.9086  -10.6859
            52  O7a O    17.2659   -9.2993
            53  C1b C    19.6925  -10.6859
            54  O1a O    19.6925   -9.2993
            55  C7a C    16.0761   -8.6125
            56  O6a O    14.8828   -9.3017
            57  N1a N    16.0760   -7.2102
BOND        61
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   10  15 1 #Down
            15   14  16 1
            16   16   3 1
            17   14  17 1
            18    7  18 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  18 1
            25   20  25 2
            26   22  26 1 #Down
            27   23  27 1 #Up
            28   18  28 1 #Down
            29    5  19 1
            30    1  29 1
            31    6  30 1
            32   15  31 1
            33   29  32 1
            34    9  33 1
            35   33  34 1
            36   34  35 1
            37    7  35 1
            38   34  36 2
            39    9  37 1 #Down
            40   26  38 1
            41   38  39 1
            42   38  40 2
            43   39  41 1
            44   39  42 1
            45   23  43 1
            46   43  24 1
            47   44  45 1
            48   45  46 1
            49   46  47 1
            50   47  48 1
            51   48  49 1
            52   44  49 1
            53   46  19 1 #Up
            54   45  50 1 #Down
            55   44  51 1 #Up
            56   49  52 1 #Down
            57   48  53 1 #Up
            58   53  54 1
            59   52  55 1
            60   55  56 2
            61   55  57 1

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