KEGG   COMPOUND: C22004
Entry
C22004                      Compound                               
Name
N8,N'8-Citryl-bis(spermidine)
Formula
C20H42N6O5
Exact mass
446.3217
Mol weight
446.5847
Structure
Reaction
R12598 R12600
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
Enzyme
6.3.2.-
Other DBs
PubChem: 405226296
LinkDB
KCF data

ATOM        31
            1   C1b C     5.2113  -17.2633
            2   C1b C     6.4116  -16.5573
            3   C1b C     7.6824  -17.2633
            4   N1b N     8.8827  -16.5573
            5   C1b C    10.0829  -17.2633
            6   C1b C    11.3538  -16.5573
            7   C1b C    12.5540  -17.2633
            8   C1b C    13.7543  -16.5573
            9   N1b N    15.0251  -17.2633
            10  C5a C    16.2254  -16.5573
            11  C1b C    17.4256  -17.2633
            12  C1d C    18.6965  -16.5573
            13  C1b C    19.8967  -17.2633
            14  C5a C    21.0970  -16.5573
            15  N1b N    22.2972  -17.2633
            16  N1a N     4.0111  -16.5573
            17  O5a O    16.2254  -15.2864
            18  O1a O    18.6965  -17.9694
            19  C6a C    18.6965  -15.1452
            20  O6a O    19.8967  -14.4392
            21  O6a O    17.4962  -14.4392
            22  O5a O    21.0970  -15.2864
            23  C1b C    23.4975  -16.5573
            24  C1b C    24.7683  -17.2633
            25  C1b C    25.9686  -16.5573
            26  C1b C    27.1688  -17.2633
            27  N1b N    28.4397  -16.5573
            28  C1b C    29.6399  -17.2633
            29  C1b C    30.8402  -16.5573
            30  C1b C    32.1110  -17.2633
            31  N1a N    33.3113  -16.5573
BOND        30
            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    1  16 1
            16   10  17 2
            17   12  18 1
            18   12  19 1
            19   19  20 2
            20   19  21 1
            21   14  22 2
            22   15  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1

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