KEGG   COMPOUND: C23105
Entry
C23105                      Compound                               
Name
Pre-alcaligin
Formula
C16H30N4O9
Exact mass
422.2013
Mol weight
422.43
Structure
Reaction
Pathway
map00975  Biosynthesis of various siderophores
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M01056  Alcaligin biosynthesis, putrescine => alcaligin
Enzyme
6.3.2.-
Other DBs
PubChem: 520621147
LinkDB
KCF data

ATOM        29
            1   O6a O    29.9600  -15.2600
            2   C6a C    28.7700  -14.5600
            3   C1b C    27.5100  -15.2600
            4   C1b C    26.3200  -14.5600
            5   C5a C    25.1300  -15.2600
            6   N1c N    23.8700  -14.5600
            7   C1b C    22.6800  -15.2600
            8   C1b C    21.4900  -14.5600
            9   C1c C    20.2300  -15.2600
            10  C1b C    19.0400  -14.5600
            11  N1b N    17.8500  -15.2600
            12  C5a C    16.5900  -14.5600
            13  C1b C    15.4000  -15.2600
            14  C1b C    14.2100  -14.5600
            15  C5a C    13.0200  -15.2600
            16  N1c N    11.7600  -14.5600
            17  C1b C    10.5700  -15.2600
            18  C1b C     9.3800  -14.5600
            19  O6a O    28.7700  -13.1600
            20  O5a O    25.1300  -16.6600
            21  O1b O    23.8700  -13.1600
            22  O1a O    20.2300  -16.6600
            23  O5a O    16.5900  -13.1600
            24  O5a O    13.0200  -16.6600
            25  O1b O    11.7600  -13.1600
            26  C1c C     8.1900  -15.2600
            27  C1b C     7.0000  -14.5600
            28  O1a O     8.1900  -16.6600
            29  N1a N     5.8100  -15.2600
BOND        28
            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   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    2  19 2
            19    5  20 2
            20    6  21 1
            21    9  22 1 #Down
            22   12  23 2
            23   15  24 2
            24   16  25 1
            25   18  26 1
            26   26  27 1
            27   26  28 1 #Down
            28   27  29 1

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