KEGG   COMPOUND: C20394
Entry
C20394                      Compound                               

Name
2-Hydroxybenzoyl-CoA;
Salicoyl-CoA
Formula
C28H40N7O18P3S
Exact mass
887.1363
Mol weight
887.6396
Structure
Reaction
Enzyme
1.14.13.209     2.3.1.208       6.2.1.65
Other DBs
PubChem: 163312132
PDB-CCD: 2NE[PDBj]
KCF data

ATOM        57
            1   C8y C     9.9624  -20.2300
            2   C5a C    11.1749  -19.5300
            3   S2a S    12.3873  -20.2300
            4   C1b C    13.5997  -19.5300
            5   C1b C    14.8122  -20.2300
            6   N1b N    16.0246  -19.5300
            7   C5a C    17.2370  -20.2300
            8   C1b C    18.4495  -19.5300
            9   C1b C    19.6619  -20.2300
            10  N1b N    20.8744  -19.5300
            11  C5a C    22.0868  -20.2300
            12  C1c C    23.2992  -19.5300
            13  C1d C    24.5117  -20.2300
            14  C1b C    25.7241  -19.5300
            15  O2b O    26.9365  -20.2300
            16  O5a O    11.1749  -18.1302
            17  O5a O    17.2370  -21.6299
            18  O5a O    22.0868  -21.6296
            19  O1a O    23.2992  -18.1300
            20  C1a C    24.5117  -18.8300
            21  C1a C    24.5117  -21.6300
            22  P1b P    28.3365  -20.2300
            23  O1c O    29.7365  -20.2300
            24  O1c O    28.3365  -21.6300
            25  C1y C    21.8400  -15.2600
            26  C1y C    23.2400  -15.2600
            27  C1y C    23.6726  -13.9285
            28  O2x O    22.5400  -13.1056
            29  C1y C    21.4074  -13.9285
            30  C1b C    24.9922  -13.4997
            31  O1a O    21.0171  -16.3926
            32  O2b O    24.0629  -16.3926
            33  P1b P    25.4629  -16.3926
            34  O1c O    25.4629  -14.9926
            35  O1c O    26.8629  -16.3926
            36  O1c O    25.4629  -17.7926
            37  C8y C    17.2900  -12.1100
            38  C8y C    17.2900  -13.5100
            39  N4y N    19.7149  -13.5100
            40  C8x C    19.7149  -12.1100
            41  N5x N    18.5024  -11.4100
            42  C8y C    16.0776  -11.4100
            43  N5x N    14.8651  -12.1100
            44  C8x C    14.8651  -13.5100
            45  N5x N    16.0776  -14.2100
            46  N1a N    16.0776  -10.0102
            47  O2b O    26.9745  -13.9320
            48  P1b P    28.3745  -13.9320
            49  O1c O    28.3745  -12.5320
            50  O1c O    29.7745  -13.9320
            51  O2c O    28.3745  -17.1520
            52  C8y C     8.7333  -19.5202
            53  C8x C     7.5208  -20.2200
            54  C8x C     7.5206  -21.6200
            55  C8x C     8.7497  -22.3298
            56  C8x C     9.9622  -21.6300
            57  O1a O     8.7336  -18.1301
BOND        60
            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    2  16 2
            16    7  17 2
            17   11  18 2
            18   12  19 1 #Down
            19   13  20 1
            20   13  21 1
            21   15  22 1
            22   22  23 2
            23   22  24 1
            24   25  26 1
            25   26  27 1
            26   27  28 1
            27   28  29 1
            28   25  29 1
            29   27  30 1 #Down
            30   25  31 1 #Up
            31   26  32 1 #Up
            32   32  33 1
            33   33  34 1
            34   33  35 1
            35   33  36 2
            36   37  38 2
            37   38  39 1
            38   39  40 1
            39   40  41 2
            40   37  41 1
            41   37  42 1
            42   42  43 2
            43   43  44 1
            44   44  45 2
            45   38  45 1
            46   42  46 1
            47   29  39 1 #Down
            48   30  47 1
            49   47  48 1
            50   48  49 1
            51   48  50 2
            52   48  51 1
            53   22  51 1
            54    1  52 2
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59    1  56 1
            60   52  57 1

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