KEGG   COMPOUND: C05554
Entry
C05554                      Compound                               

Name
Aerobactin
Formula
C22H36N4O13
Exact mass
564.2279
Mol weight
564.5402
Structure
Reaction
Pathway
map00997  Biosynthesis of various secondary metabolites - part 3
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01120  Microbial metabolism in diverse environments
Module
M00918  Aerobactin biosynthesis, lysine => aerobactin
Enzyme
Other DBs
CAS: 26198-65-2
PubChem: 7887
ChEBI: 18157
3DMET: B01872
NIKKAJI: J93.384H
LinkDB
KCF data

ATOM        39
            1   C1a C    10.1500  -23.9400
            2   C5a C    11.3624  -23.2400
            3   N1c N    12.5749  -23.9400
            4   C1b C    13.7873  -23.2400
            5   C1b C    14.9997  -23.9400
            6   C1b C    16.2122  -23.2400
            7   C1b C    17.4246  -23.9400
            8   C1c C    18.6370  -23.2400
            9   C6a C    19.8495  -23.9400
            10  O6a O    21.0619  -23.2400
            11  N1b N    18.6370  -21.8401
            12  O5a O    11.3624  -21.8402
            13  O1b O    12.5749  -25.3398
            14  O6a O    19.8495  -25.3397
            15  C5a C    19.8324  -21.1400
            16  C1b C    21.0449  -21.8400
            17  C1d C    22.2573  -21.1400
            18  C1b C    23.4697  -21.8400
            19  C5a C    24.9622  -21.1400
            20  N1b N    26.1746  -21.8400
            21  C1c C    27.3870  -21.1400
            22  C1b C    28.5995  -21.8400
            23  C1b C    29.8119  -21.1400
            24  C1b C    31.0244  -21.8400
            25  C1b C    32.2368  -21.1400
            26  N1c N    33.4492  -21.8400
            27  C5a C    34.6617  -21.1400
            28  C1a C    35.8741  -21.8400
            29  O5a O    19.8281  -19.7401
            30  C6a C    22.2573  -19.7400
            31  O6a O    23.4018  -19.1088
            32  O6a O    21.0469  -19.0412
            33  O1a O    23.4018  -20.5088
            34  O5a O    24.9622  -19.8800
            35  C6a C    27.3870  -19.7401
            36  O6a O    26.1618  -19.0326
            37  O6a O    28.5867  -19.0474
            38  O5a O    34.6617  -19.7400
            39  O1b O    33.4492  -23.2400
BOND        38
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    8  11 1 #Down
            11    2  12 2
            12    3  13 1
            13    9  14 2
            14   11  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   15  29 2
            29   17  30 1
            30   30  31 1
            31   30  32 2
            32   17  33 1
            33   19  34 2
            34   21  35 1 #Down
            35   35  36 2
            36   35  37 1
            37   27  38 2
            38   26  39 1

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