KEGG   COMPOUND: C12268
Entry
C12268                      Compound                               
Name
Syringomycin
Formula
C44H66ClN14O17R
Structure
Sequence
0 FA  1 Ser  2 D-Ser  3 Dab  4 D-Dab  5 Arg  6 Phe  7 Dhb  8 Asp
9 Thr  (Cyclization: 1-9)
  Gene
1-8 syrE [UP:O85168]; 9 syrB1 [UP:Q52400]
  Organism
Pseudomonas syringae (pv. syringae) [GN:psb]
  Type
NRP
Comment
0 FA is 3-hydroxy-fatty acid.
8 Asp is modified by 3-hydroxy. (i.e. 3-L-threo-Hydroxyaspartic acid, (3-OH)Asp)
9 Thr is modified by 4-chloro. (i.e. 4-Chlorothreonine, (4-Cl)Thr)
Pathway
map01054  Nonribosomal peptide structures
Other DBs
CAS: 11140-67-3
PubChem: 14413
ChEBI: 32174
KCF data

ATOM        77
            1   R   R    24.4597  -16.5438
            2   C1c C    25.6743  -17.2451
            3   C1b C    26.8891  -16.5438
            4   C5a C    28.1038  -17.2451
            5   N1b N    29.3185  -16.5438
            6   C1c C    30.5332  -17.2451
            7   C5a C    31.7479  -16.5438
            8   N1b N    32.9626  -17.2451
            9   C1c C    34.1774  -16.5438
            10  C5a C    35.3920  -17.2451
            11  N1b N    36.6068  -16.5438
            12  C1c C    37.8215  -17.2451
            13  O1a O    25.6743  -18.6475
            14  O5a O    28.1038  -18.6477
            15  O5a O    31.7479  -15.1411
            16  C1b C    34.1774  -15.1414
            17  O1a O    35.4149  -14.4266
            18  C1b C    39.0609  -16.5291
            19  C5a C    37.8217  -18.6473
            20  C1b C    39.0604  -15.1412
            21  N1a N    40.2648  -14.4453
            22  O5a O    39.0612  -19.3631
            23  N1b N    36.6318  -19.3347
            24  C1c C    36.6318  -20.7513
            25  C1b C    37.8695  -21.4662
            26  C5a C    35.4401  -21.4395
            27  O5a O    34.2538  -20.7547
            28  N1b N    35.4400  -22.8553
            29  C1b C    39.0788  -20.7682
            30  N1a N    40.2623  -21.4517
            31  C1c C    36.6773  -23.5700
            32  C1b C    37.8866  -22.8720
            33  C5a C    36.6769  -24.9594
            34  C1b C    39.0701  -23.5557
            35  C1b C    40.2670  -22.8648
            36  N1b N    41.4568  -23.5520
            37  C2c C    42.6503  -22.8629
            38  N1a N    43.8417  -23.5510
            39  N2a N    42.6506  -21.4532
            40  N1b N    35.4512  -25.6667
            41  O5a O    37.8807  -25.6548
            42  C1c C    35.4509  -27.0633
            43  C5a C    34.2506  -27.7561
            44  C1b C    36.6799  -27.7734
            45  C8y C    36.6799  -29.1760
            46  C8x C    35.4560  -29.8827
            47  C8x C    35.4561  -31.2854
            48  C8x C    36.6709  -31.9866
            49  C8x C    37.8949  -31.2798
            50  C8x C    37.8947  -29.8772
            51  O5a O    34.2502  -29.1671
            52  C1b C    30.5332  -18.6474
            53  O7a O    29.3394  -19.3369
            54  N1b N    33.0605  -27.0686
            55  C2c C    31.8668  -27.7573
            56  O5a O    35.3920  -18.6477
            57  C7a C    29.3394  -20.7395
            58  O6a O    28.1419  -21.4313
            59  C1c C    30.5815  -21.4566
            60  N1b N    30.5815  -22.8592
            61  C5a C    29.3531  -23.5685
            62  O5a O    28.1453  -22.8712
            63  C1c C    29.3534  -24.9594
            64  N1b N    30.5798  -25.6673
            65  C1c C    28.1504  -25.6543
            66  C6a C    26.9581  -24.9661
            67  O1a O    28.1505  -27.0632
            68  O6a O    25.7661  -25.6546
            69  O6a O    26.9578  -23.5572
            70  C5a C    30.5799  -27.0633
            71  O5a O    29.3616  -27.7906
            72  C1c C    31.7823  -20.7631
            73  O1a O    32.9704  -21.4488
            74  C1b C    31.7824  -19.3493
            75  X   Cl   32.9752  -18.6603
            76  C2b C    31.8879  -29.1895
            77  C1a C    33.1349  -29.8856
BOND        78
            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    2  13 1
            13    4  14 2
            14    7  15 2
            15    9  16 1 #Down
            16   16  17 1
            17   12  18 1 #Up
            18   12  19 1
            19   18  20 1
            20   20  21 1
            21   19  22 2
            22   19  23 1
            23   23  24 1
            24   24  25 1 #Down
            25   24  26 1
            26   26  27 2
            27   26  28 1
            28   25  29 1
            29   29  30 1
            30   28  31 1
            31   31  32 1 #Up
            32   31  33 1
            33   32  34 1
            34   34  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   37  39 2
            39   33  40 1
            40   33  41 2
            41   40  42 1
            42   42  43 1
            43   42  44 1 #Up
            44   44  45 1
            45   45  46 2
            46   46  47 1
            47   47  48 2
            48   48  49 1
            49   49  50 2
            50   45  50 1
            51   43  51 2
            52    6  52 1 #Down
            53   52  53 1
            54   43  54 1
            55   54  55 1
            56   10  56 2
            57   53  57 1
            58   57  58 2
            59   57  59 1
            60   59  60 1 #Down
            61   60  61 1
            62   61  62 2
            63   61  63 1
            64   63  64 1 #Up
            65   63  65 1
            66   65  66 1
            67   65  67 1 #Down
            68   66  68 1
            69   66  69 2
            70   64  70 1
            71   70  55 1
            72   70  71 2
            73   59  72 1
            74   72  73 1 #Up
            75   72  74 1
            76   74  75 1
            77   55  76 2
            78   76  77 1

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