KEGG   COMPOUND: C17585Help
Entry
C17585                      Compound                               

Name
Butirosin A
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
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Aminoglycosides
   2-Deoxystreptamines
    C17585  Butirosin A
BRITE hierarchy
Other DBs
CAS: 34291-02-6
PubChem: 96023930
ChEBI: 65112
ChEMBL: CHEMBL3549904 CHEMBL428032
PDB-CCD: B31[PDBj]
NIKKAJI: J87.141I
LinkDB All DBs
KCF data Show

ATOM        38
            1   O1a O    26.6615  -21.6229
            2   C1y C    27.8511  -20.9231
            3   C1y C    29.1108  -21.6929
            4   C1x C    30.3004  -20.9931
            5   C1y C    30.3004  -19.5935
            6   C1y C    29.1108  -18.8937
            7   C1y C    27.8511  -19.5935
            8   N1b N    29.1108  -23.0925
            9   O2a O    26.6615  -18.8937
            10  N1a N    31.5600  -18.8937
            11  O2a O    29.1108  -17.4942
            12  C1y C    30.3004  -16.7944
            13  O2x O    31.4901  -17.4942
            14  C1y C    32.6797  -16.7944
            15  C1y C    32.6797  -15.3948
            16  C1y C    31.4901  -14.6950
            17  C1y C    30.3004  -15.3948
            18  C1b C    33.9393  -17.4942
            19  N1a N    29.0408  -14.6950
            20  O1a O    31.4901  -13.2954
            21  O1a O    33.8694  -14.6950
            22  N1a N    33.9393  -18.8937
            23  C1y C    23.4425  -20.6432
            24  C1y C    24.8420  -20.6432
            25  C1y C    25.2619  -19.3136
            26  O2x O    24.1422  -18.4739
            27  C1y C    23.0226  -19.3136
            28  C1b C    21.6930  -18.8937
            29  O1a O    20.6433  -19.8035
            30  O1a O    22.6027  -21.7629
            31  O1a O    25.6818  -21.7629
            32  C5a C    30.3324  -23.8000
            33  C1c C    31.5449  -23.1000
            34  C1b C    32.7573  -23.8000
            35  C1b C    33.9697  -23.1000
            36  N1a N    35.1822  -23.8000
            37  O5a O    30.3315  -25.1998
            38  O1a O    31.5449  -21.7002
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 #Up
            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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