KEGG   COMPOUND: C18005
Entry
C18005                      Compound                               

Name
gamma-L-Glutamyl-butirosin B
Formula
C26H48N6O15
Exact mass
684.3178
Mol weight
684.6905
Structure
Reaction
Pathway
map00524  Neomycin, kanamycin and gentamicin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.3.2.19        4.3.2.6
Other DBs
PubChem: 96024225
ChEBI: 65108
KCF data

ATOM        47
            1   O1a O    26.0263  -20.5687
            2   C1y C    27.2156  -19.8690
            3   C1y C    28.4751  -20.6387
            4   C1x C    29.6644  -19.9390
            5   C1y C    29.6644  -18.5397
            6   C1y C    28.4751  -17.8400
            7   C1y C    27.2156  -18.5397
            8   N1b N    28.4751  -22.0380
            9   O2a O    26.0263  -17.8400
            10  N1a N    30.9238  -17.8400
            11  O2a O    28.4751  -16.4408
            12  C1y C    29.6644  -15.7411
            13  O2x O    30.8539  -16.4408
            14  C1y C    32.0433  -15.7411
            15  C1y C    32.0433  -14.3418
            16  C1y C    30.8539  -13.6422
            17  C1y C    29.6644  -14.3418
            18  C1b C    33.3026  -16.4408
            19  N1a N    28.4051  -13.6422
            20  O1a O    30.8539  -12.2427
            21  O1a O    33.2327  -13.6422
            22  N1a N    33.3026  -17.8400
            23  C1y C    22.8079  -19.5892
            24  C1y C    24.2071  -19.5892
            25  C1y C    24.6269  -18.2598
            26  O2x O    23.5075  -17.4203
            27  C1y C    22.3881  -18.2598
            28  C1b C    21.0588  -17.8400
            29  O1a O    20.0093  -18.7496
            30  O1a O    21.9683  -20.7086
            31  O1a O    25.0468  -20.7086
            32  C5a C    29.6964  -22.7453
            33  C1c C    30.9087  -22.0455
            34  C1b C    32.1208  -22.7453
            35  C1b C    33.3330  -22.0455
            36  N1b N    34.5453  -22.7453
            37  O5a O    29.6955  -24.1449
            38  O1a O    30.9087  -20.6460
            39  C5a C    35.7924  -22.0500
            40  C1b C    37.0049  -22.7500
            41  C1b C    38.2173  -22.0500
            42  C1c C    39.4297  -22.7500
            43  C6a C    40.6422  -22.0500
            44  O6a O    41.8546  -22.7500
            45  O5a O    35.8029  -20.6504
            46  N1a N    39.4297  -24.1499
            47  O6a O    40.6422  -20.6503
BOND        49
            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
            41   36  39 1
            42   39  40 1
            43   40  41 1
            44   41  42 1
            45   42  43 1
            46   43  44 1
            47   39  45 2
            48   42  46 1 #Up
            49   43  47 2

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