KEGG   COMPOUND: C22185
Entry
C22185                      Compound                               
Name
N-(2,3-Dihydroxybenzoyl)-L-serine trimer;
O-3-{O-3-[N-(2,3-Dihydroxybenzoyl)-L-seryl]-N-(2,3-dihydroxybenzoyl)-L-seryl}-N-(2,3-dihydroxybenzoyl)-L-serine
Formula
C30H29N3O16
Exact mass
687.1548
Mol weight
687.5618
Structure
Reaction
R12473
Enzyme
3.1.1.107
Other DBs
PubChem: 405226376
ChEBI: 182161
LinkDB
KCF data

ATOM        49
            1   C8y C    17.4103  -20.0494
            2   C5a C    17.4103  -18.6442
            3   C8y C    18.6290  -20.7368
            4   C8x C    16.2032  -20.7368
            5   N1b N    18.6231  -17.9441
            6   O5a O    16.1975  -17.9441
            7   C8y C    18.6290  -22.1362
            8   O1a O    19.8421  -20.0377
            9   C8x C    16.2032  -22.1362
            10  C1c C    18.6231  -16.5389
            11  C8x C    17.4161  -22.8421
            12  O1a O    19.8421  -22.8421
            13  C6a C    19.8361  -15.8455
            14  C1b C    17.4103  -15.8455
            15  O6a O    19.8361  -14.4462
            16  O6a O    21.0548  -16.5389
            17  O7a O    17.4103  -14.4462
            18  C1b C    21.0548  -13.7403
            19  C7a C    16.1975  -13.7403
            20  C1c C    21.0548  -12.3408
            21  C1c C    16.1975  -12.3408
            22  O6a O    14.9916  -14.4462
            23  N1b N    22.2678  -11.6418
            24  C7a C    19.8361  -11.6418
            25  N1b N    14.9916  -11.6418
            26  C1b C    17.4103  -11.6418
            27  C5a C    23.4808  -12.3408
            28  O7a O    18.6231  -12.3408
            29  O6a O    19.8361  -10.2423
            30  C5a C    13.7727  -12.3408
            31  C8y C    24.6936  -11.6418
            32  O5a O    23.4808  -13.7403
            33  C8y C    12.6297  -11.6418
            34  O5a O    13.7727  -13.7403
            35  C8y C    25.8937  -12.3349
            36  C8x C    24.6877  -10.2366
            37  C8y C    11.3528  -12.3466
            38  C8x C    12.5656  -10.2482
            39  C8y C    27.1066  -11.6418
            40  O1a O    25.8937  -13.7403
            41  C8x C    25.8937   -9.5363
            42  C8y C    10.1399  -11.6476
            43  O1a O    11.3585  -13.7460
            44  C8x C    11.3528   -9.5422
            45  C8x C    27.1066  -10.2366
            46  O1a O    28.3196  -12.3349
            47  C8x C    10.1399  -10.2482
            48  O1a O     8.9211  -12.3466
            49  O1a O    22.2674  -14.4404
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9    10   5 1 #Up
            10    7  11 1
            11    7  12 1
            12   10  13 1
            13   10  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   17  19 1
            18   18  20 1
            19   19  21 1
            20   19  22 2
            21   20  23 1 #Up
            22   20  24 1
            23   21  25 1 #Up
            24   21  26 1
            25   23  27 1
            26   24  28 1
            27   24  29 2
            28   25  30 1
            29   27  31 1
            30   27  32 2
            31   30  33 1
            32   30  34 2
            33   31  35 2
            34   31  36 1
            35   33  37 1
            36   33  38 2
            37   35  39 1
            38   35  40 1
            39   36  41 2
            40   37  42 2
            41   37  43 1
            42   38  44 1
            43   39  45 2
            44   39  46 1
            45   42  47 1
            46   42  48 1
            47    9  11 2
            48   26  28 1
            49   41  45 1
            50   44  47 2
            51   18  49 1

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