KEGG   COMPOUND: C20952
Entry
C20952                      Compound                               
Name
N1-(3,4-Dihydroxybenzoyl)-N8-citryl spermidine;
3,4-Dihydroxybenzoyl-citryl-spermidine
Formula
C20H29N3O9
Exact mass
455.1904
Mol weight
455.46
Structure
Reaction
R12597 R12599
Pathway
map01053  Biosynthesis of siderophore group nonribosomal peptides
Enzyme
6.3.2.-
Other DBs
PubChem: 405226294
LinkDB
KCF data

ATOM        32
            1   C1b C    13.6898  -17.6098
            2   C1b C    14.8900  -16.9038
            3   C1b C    16.1607  -17.6098
            4   N1b N    17.3609  -16.9038
            5   C1b C    18.5611  -17.6098
            6   C1b C    19.8319  -16.9038
            7   C1b C    21.0321  -17.6098
            8   C1b C    22.2323  -16.9038
            9   N1b N    23.5031  -17.6098
            10  C5a C    24.7033  -16.9038
            11  C1b C    25.9035  -17.6098
            12  C1d C    27.1743  -16.9038
            13  C1b C    28.3745  -17.6098
            14  C6a C    29.5747  -16.9038
            15  O6a O    30.7749  -17.6098
            16  N1b N    12.4896  -16.9038
            17  O5a O    24.7033  -15.6330
            18  O1a O    27.1743  -18.3158
            19  C6a C    27.1743  -15.4918
            20  O6a O    28.3745  -14.7858
            21  O6a O    25.9741  -14.7858
            22  O6a O    29.5747  -15.6330
            23  C5a C    11.2894  -17.6098
            24  C8y C    10.0892  -16.9038
            25  O5a O    11.2894  -19.0218
            26  C8x C    10.0892  -15.4918
            27  C8y C     8.8184  -14.7858
            28  C8y C     7.6182  -15.4918
            29  C8x C     7.6182  -16.9038
            30  C8x C     8.8184  -17.6098
            31  O1a O     8.8184  -13.3738
            32  O1a O     6.4180  -14.7858
BOND        32
            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   16  23 1
            23   23  24 1
            24   23  25 2
            25   24  26 2
            26   26  27 1
            27   27  28 2
            28   28  29 1
            29   29  30 2
            30   24  30 1
            31   27  31 1
            32   28  32 1

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