KEGG   COMPOUND: C20138Help
Entry
C20138                      Compound                               

Name
N-Demethylansamitocin P-3;
N-Demethyl-AP-3;
PND-3
Formula
C31H41ClN2O9
Exact mass
620.2501
Mol weight
621.1182
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Enzyme
2.1.1.-         2.4.1.-
Other DBs
PubChem: 135626598
ChEBI: 138857
KNApSAcK: C00018394
KCF data Show

ATOM        43
            1   C8y C    13.8205  -16.0512
            2   C8x C    13.8205  -17.4446
            3   C8y C    15.0051  -18.1413
            4   C8x C    16.2592  -17.4446
            5   C8y C    16.2592  -16.0512
            6   C8y C    15.0051  -15.3543
            7   C1y C    23.5057  -17.4446
            8   C1x C    22.2516  -18.1413
            9   C1z C    22.2516  -19.5349
            10  C1y C    21.0670  -20.2317
            11  C2x C    19.8129  -19.5349
            12  C2x C    18.6282  -20.2317
            13  C2x C    17.4438  -19.5349
            14  C2y C    16.1897  -20.2317
            15  O2a O    21.0670  -21.6253
            16  C1x C    15.0051  -19.5349
            17  C1a C    16.1897  -21.6253
            18  C1y C    23.5057  -16.0512
            19  N1x N    17.2347  -14.8666
            20  C5x C    18.6282  -14.8666
            21  C1x C    19.3251  -13.6123
            22  C1y C    20.7188  -13.6123
            23  C1z C    21.4155  -14.7968
            24  C1y C    22.8089  -14.7968
            25  O5x O    19.3251  -16.0512
            26  O7a O    21.4155  -12.4278
            27  C1a C    20.7188  -15.9813
            28  C1a C    24.8295  -15.7026
            29  O2a O    12.6109  -15.3592
            30  X   Cl   14.9880  -13.9608
            31  C1a C    19.8573  -22.3171
            32  C1a C    11.3733  -16.0800
            33  N1x N    23.4636  -20.2347
            34  C7x C    24.6758  -19.5349
            35  O7x O    24.6758  -18.1413
            36  O6a O    25.9040  -20.2443
            37  O1a O    22.2516  -20.9346
            38  C7a C    22.8237  -12.4390
            39  C1c C    23.5236  -11.2490
            40  O6a O    23.5240  -13.6745
            41  C1a C    24.9243  -11.2603
            42  C1a C    22.8430  -10.0482
            43  O2x O    22.1155  -13.5844
BOND        46
            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

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