KEGG   COMPOUND: C22069
Entry
C22069                      Compound                               

Name
N1-(3,4-Dihydroxybenzoyl)-N8,N'8-citryl-bis(spermidine)
Formula
C27H46N6O8
Exact mass
582.3377
Mol weight
582.6895
Structure
Reaction
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
Enzyme
6.3.2.-
Other DBs
PubChem: 405226297
KCF data

ATOM        41
            1   C1b C     9.0186  -17.5878
            2   C1b C    10.2163  -16.8833
            3   C1b C    11.4846  -17.5878
            4   N1b N    12.6824  -16.8833
            5   C1b C    13.8801  -17.5878
            6   C1b C    15.1484  -16.8833
            7   C1b C    16.3461  -17.5878
            8   C1b C    17.5439  -16.8833
            9   N1b N    18.8122  -17.5878
            10  C5a C    20.0099  -16.8833
            11  C1b C    21.2077  -17.5878
            12  C1d C    22.4759  -16.8833
            13  C1b C    23.6737  -17.5878
            14  C5a C    24.8715  -16.8833
            15  N1b N    26.0693  -17.5878
            16  N1b N     7.8208  -16.8833
            17  O5a O    20.0099  -15.6150
            18  O1a O    22.4759  -18.2924
            19  C6a C    22.4759  -15.4741
            20  O6a O    23.6737  -14.7695
            21  O6a O    21.2782  -14.7695
            22  O5a O    24.8715  -15.6150
            23  C1b C    27.2671  -16.8833
            24  C1b C    28.5353  -17.5878
            25  C1b C    29.7331  -16.8833
            26  C1b C    30.9308  -17.5878
            27  N1b N    32.1991  -16.8833
            28  C1b C    33.3969  -17.5878
            29  C1b C    34.5946  -16.8833
            30  C1b C    35.8629  -17.5878
            31  N1a N    37.0607  -16.8833
            32  C5a C     6.6230  -17.5878
            33  C8y C     5.4252  -16.8833
            34  O5a O     6.6230  -18.9970
            35  C8x C     5.4252  -15.4741
            36  C8y C     4.1570  -14.7695
            37  C8y C     2.9592  -15.4741
            38  C8x C     2.9592  -16.8833
            39  C8x C     4.1570  -17.5878
            40  O1a O     4.1570  -13.3604
            41  O1a O     1.7614  -14.7695
BOND        41
            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
            31   16  32 1
            32   32  33 1
            33   32  34 2
            34   33  35 2
            35   35  36 1
            36   36  37 2
            37   37  38 1
            38   38  39 2
            39   33  39 1
            40   36  40 1
            41   37  41 1

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