KEGG   COMPOUND: C17573Help
Entry
C17573                      Compound                               

Name
Bluensomycin
Formula
C21H39N5O14
Exact mass
585.2494
Mol weight
585.5595
Structure
Mol fileKCF fileDB search
Pathway
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 11011-72-6
PubChem: 96023918
ChEBI: 81193
ChEMBL: CHEMBL2104642
NIKKAJI: J78.084G
KCF data Show

ATOM        40
            1   C1y C    37.6218  -20.1103
            2   C1y C    38.0408  -18.8535
            3   C1z C    36.2952  -20.1103
            4   O2a O    39.2976  -21.2275
            5   O2a O    39.5769  -17.5269
            6   O2x O    36.9236  -18.0855
            7   C1y C    35.8763  -18.8535
            8   C1b C    34.9686  -20.8784
            9   O1a O    36.2952  -21.3672
            10  C1y C    38.1804  -23.3222
            11  C1y C    39.5071  -15.9209
            12  C1a C    34.6893  -18.5044
            13  O1a O    33.8514  -20.1802
            14  C1y C    38.1804  -24.6489
            15  O2x O    37.0633  -22.6240
            16  C1y C    38.3899  -15.2227
            17  C1y C    40.6941  -15.2227
            18  C1y C    37.0633  -25.2773
            19  C1y C    35.9461  -23.3222
            20  C1y C    38.3899  -13.8961
            21  N1b N    36.5745  -16.0606
            22  C1y C    40.6941  -13.8961
            23  O1a O    41.8112  -15.8511
            24  C1y C    35.9461  -24.6489
            25  O1a O    37.0633  -26.6039
            26  C1b C    34.8289  -22.6240
            27  C1y C    39.5071  -13.2677
            28  O1a O    37.4822  -13.1978
            29  C2c C    35.4573  -15.4322
            30  O1a O    41.8112  -13.2677
            31  O1a O    34.7591  -25.2773
            32  O1a O    33.6419  -23.3222
            33  O7a O    39.5071  -11.9410
            34  N1a N    34.2703  -16.0606
            35  N2a N    35.4573  -14.1055
            36  C7a C    38.3899  -11.3126
            37  O6a O    38.3899   -9.9860
            38  N1a N    37.2727  -11.9410
            39  N1b N    39.4373  -25.2773
            40  C1a C    40.6243  -24.5790
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Up
            8     3   9 1
            9    10   4 1 #Up
            10   11   5 1 #Down
            11    7  12 1 #Down
            12    8  13 1
            13   10  14 1
            14   10  15 1
            15   11  16 1
            16   11  17 1
            17   14  18 1
            18   15  19 1
            19   16  20 1
            20   16  21 1 #Up
            21   17  22 1
            22   17  23 1 #Up
            23   18  24 1
            24   18  25 1 #Down
            25   19  26 1 #Down
            26   20  27 1
            27   20  28 1 #Down
            28   21  29 1
            29   22  30 1 #Down
            30   24  31 1 #Up
            31   26  32 1
            32   27  33 1 #Up
            33   29  34 1
            34   29  35 2
            35   33  36 1
            36   36  37 2
            37   36  38 1
            38    6   7 1
            39   19  24 1
            40   22  27 1
            41   14  39 1 #Up
            42   39  40 1

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