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
map00975  Biosynthesis of various siderophores
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M01060  Petrobactin biosynthesis, spermidine => petrobactin
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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