KEGG   COMPOUND: C17586Help
Entry
C17586                      Compound                               

Name
Butirosin B
Formula
C21H41N5O12
Exact mass
555.2752
Mol weight
555.5765
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
CAS: 34291-03-7
PubChem: 96023931
ChEBI: 65110
ChEMBL: CHEMBL3301870 CHEMBL3549904
NIKKAJI: J92.782A
LinkDB All DBs
KCF data Show

ATOM        38
            1   O1a O    26.0262  -20.5686
            2   C1y C    27.2155  -19.8689
            3   C1y C    28.4750  -20.6386
            4   C1x C    29.6643  -19.9389
            5   C1y C    29.6643  -18.5396
            6   C1y C    28.4750  -17.8399
            7   C1y C    27.2155  -18.5396
            8   N1b N    28.4750  -22.0379
            9   O2a O    26.0262  -17.8399
            10  N1a N    30.9237  -17.8399
            11  O2a O    28.4750  -16.4407
            12  C1y C    29.6643  -15.7410
            13  O2x O    30.8538  -16.4407
            14  C1y C    32.0432  -15.7410
            15  C1y C    32.0432  -14.3417
            16  C1y C    30.8538  -13.6421
            17  C1y C    29.6643  -14.3417
            18  C1b C    33.3025  -16.4407
            19  N1a N    28.4050  -13.6421
            20  O1a O    30.8538  -12.2427
            21  O1a O    33.2326  -13.6421
            22  N1a N    33.3025  -17.8399
            23  C1y C    22.8078  -19.5891
            24  C1y C    24.2070  -19.5891
            25  C1y C    24.6268  -18.2597
            26  O2x O    23.5074  -17.4202
            27  C1y C    22.3880  -18.2597
            28  C1b C    21.0587  -17.8399
            29  O1a O    20.0092  -18.7495
            30  O1a O    21.9682  -20.7085
            31  O1a O    25.0467  -20.7085
            32  C5a C    29.6963  -22.7452
            33  C1c C    30.9086  -22.0454
            34  C1b C    32.1207  -22.7452
            35  C1b C    33.3329  -22.0454
            36  N1a N    34.5452  -22.7452
            37  O5a O    29.6954  -24.1448
            38  O1a O    30.9086  -20.6459
BOND        40
            1     2   1 1 #Down
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     3   8 1 #Up
            9     7   9 1 #Up
            10    5  10 1 #Up
            11    6  11 1 #Down
            12   12  11 1 #Down
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   14  18 1 #Up
            20   17  19 1 #Down
            21   16  20 1 #Up
            22   15  21 1 #Down
            23   18  22 1
            24   23  24 1
            25   24  25 1
            26   25  26 1
            27   26  27 1
            28   23  27 1
            29   27  28 1 #Up
            30   28  29 1
            31   23  30 1 #Down
            32   24  31 1 #Down
            33   25   9 1 #Up
            34    8  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   32  37 2
            40   33  38 1 #Up

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