KEGG   COMPOUND: C20134Help
Entry
C20134                      Compound                               

Name
19-Chloroproansamitocin
Formula
C25H32ClNO6
Exact mass
477.1918
Mol weight
477.9777
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 135626594
KCF data Show

ATOM        33
            1   C8y C     7.0700   -9.4500
            2   C8x C     7.0700  -10.8500
            3   C8y C     8.2600  -11.5500
            4   C8x C     9.5200  -10.8500
            5   C8y C     9.5200   -9.4500
            6   C8y C     8.2600   -8.7500
            7   C1y C    16.8000  -10.8500
            8   C1x C    15.5400  -11.5500
            9   C5x C    15.5400  -12.9500
            10  C1y C    14.3500  -13.6500
            11  C2x C    13.0900  -12.9500
            12  C2x C    11.9000  -13.6500
            13  C2x C    10.7100  -12.9500
            14  C2y C     9.4500  -13.6500
            15  O1a O    17.9900  -11.5500
            16  O5x O    16.7300  -13.6500
            17  O2a O    14.3500  -15.0500
            18  C1x C     8.2600  -12.9500
            19  C1a C     9.4500  -15.0500
            20  C1y C    16.8000   -9.4500
            21  N1x N    10.5000   -8.2600
            22  C5x C    11.9000   -8.2600
            23  C1x C    12.6000   -7.0000
            24  C1y C    14.0000   -7.0000
            25  C2y C    14.7000   -8.1900
            26  C2x C    16.1000   -8.1900
            27  O5x O    12.6000   -9.4500
            28  O1a O    14.7000   -5.8100
            29  C1a C    14.0000   -9.3800
            30  C1a C    18.1300   -9.1000
            31  O1a O     5.8547   -8.7549
            32  X   Cl    8.2428   -7.3501
            33  C1a C    13.1347  -15.7451
BOND        34
            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    7  15 1 #Up
            15    9  16 2
            16   10  17 1 #Down
            17   14  18 1
            18   18   3 1
            19   14  19 1
            20    7  20 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 2
            26   26  20 1
            27   22  27 2
            28   24  28 1 #Down
            29   25  29 1
            30   20  30 1 #Down
            31    5  21 1
            32    1  31 1
            33    6  32 1
            34   17  33 1

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