KEGG   COMPOUND: C06446
Entry
C06446                      Compound                               
Name
2-N,6-N-Bis(2,3-dihydroxybenzoyl)-L-lysine
Formula
C20H22N2O8
Exact mass
418.1376
Mol weight
418.40
Structure
Other DBs
PubChem: 8679
ChEBI: 165185
KNApSAcK: C00027914
PDB-CCD: 95B[PDBj]
NIKKAJI: J2.767.406B
LinkDB
KCF data

ATOM        30
            1   C8y C    13.5901  -16.5385
            2   C8x C    13.5901  -17.9398
            3   C8x C    14.8036  -18.6405
            4   C8x C    16.0172  -17.9398
            5   C8y C    16.0172  -16.5385
            6   C8y C    14.8036  -15.8379
            7   O1a O    14.8036  -14.4368
            8   O1a O    12.3766  -15.8379
            9   C5a C    17.2559  -15.8379
            10  N1b N    18.4695  -16.5385
            11  C1c C    19.6830  -15.8379
            12  C1b C    20.8965  -16.5385
            13  C1b C    22.1101  -15.8379
            14  C1b C    23.3236  -16.5385
            15  C1b C    24.5372  -15.8379
            16  N1b N    25.7508  -16.5385
            17  C5a C    26.9643  -15.8379
            18  C8y C    28.1779  -16.5385
            19  O5a O    17.2621  -14.5070
            20  C6a C    19.6830  -14.4366
            21  O6a O    20.8986  -13.7347
            22  O6a O    18.4715  -13.7372
            23  O5a O    26.9643  -14.4366
            24  C8x C    28.1779  -17.9397
            25  C8x C    29.3914  -18.6404
            26  C8x C    30.6050  -17.9397
            27  C8y C    30.6050  -16.5385
            28  C8y C    29.3914  -15.8379
            29  O1a O    29.3914  -14.4370
            30  O1a O    31.8266  -15.8332
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     1   8 1
            9     5   9 1
            10    9  10 1
            11   11  10 1 #Down
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19    9  19 2
            20   11  20 1
            21   20  21 1
            22   20  22 2
            23   17  23 2
            24   18  24 2
            25   24  25 1
            26   25  26 2
            27   26  27 1
            28   27  28 2
            29   18  28 1
            30   28  29 1
            31   27  30 1

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