KEGG   COMPOUND: C02577
Entry
C02577                      Compound                               

Name
Phenoxyacetyl-CoA
Formula
C29H42N7O18P3S
Exact mass
901.152
Mol weight
901.6662
Structure
Other DBs
PubChem: 5572
ChEBI: 28964
NIKKAJI: J2.739.099D
KCF data

ATOM        58
            1   C1b C    31.1724  -40.8800
            2   C5a C    32.3849  -40.1800
            3   S2a S    33.5973  -40.8800
            4   C1b C    34.8097  -40.1800
            5   C1b C    36.0222  -40.8800
            6   N1b N    37.2346  -40.1800
            7   C5a C    38.4470  -40.8800
            8   C1b C    39.6595  -40.1800
            9   C1b C    40.8719  -40.8800
            10  N1b N    42.0844  -40.1800
            11  C5a C    43.2968  -40.8800
            12  C1c C    44.5092  -40.1800
            13  C1d C    45.7217  -40.8800
            14  C1b C    46.9341  -40.1800
            15  O2b O    48.1465  -40.8800
            16  O5a O    32.3849  -38.7802
            17  O5a O    38.4470  -42.2799
            18  O5a O    43.2968  -42.2796
            19  O1a O    44.5092  -38.7800
            20  C1a C    45.7217  -39.4800
            21  C1a C    45.7217  -42.2800
            22  P1b P    49.5465  -40.8800
            23  O1c O    50.9465  -40.8800
            24  O1c O    49.5465  -42.2800
            25  C1y C    43.0500  -35.9100
            26  C1y C    44.4500  -35.9100
            27  C1y C    44.8826  -34.5785
            28  O2x O    43.7500  -33.7556
            29  C1y C    42.6174  -34.5785
            30  C1b C    46.2022  -34.1497
            31  O1a O    42.2271  -37.0426
            32  O2b O    45.2729  -37.0426
            33  P1b P    46.6729  -37.0426
            34  O1c O    46.6729  -35.6426
            35  O1c O    48.0729  -37.0426
            36  O1c O    46.6729  -38.4426
            37  C8y C    38.5000  -32.7600
            38  C8y C    38.5000  -34.1600
            39  N4y N    40.9249  -34.1600
            40  C8x C    40.9249  -32.7600
            41  N5x N    39.7124  -32.0600
            42  C8y C    37.2876  -32.0600
            43  N5x N    36.0751  -32.7600
            44  C8x C    36.0751  -34.1600
            45  N5x N    37.2876  -34.8600
            46  N1a N    37.2876  -30.6602
            47  O2b O    48.1845  -34.5820
            48  P1b P    49.5845  -34.5820
            49  O1c O    49.5845  -33.1820
            50  O1c O    50.9845  -34.5820
            51  O2c O    49.5845  -37.8020
            52  O2a O    29.9433  -40.1702
            53  C8y C    28.7392  -40.8653
            54  C8x C    27.5563  -40.1822
            55  C8x C    26.3438  -40.8821
            56  C8x C    26.3437  -42.2821
            57  C8x C    27.5265  -42.9652
            58  C8x C    28.7390  -42.2653
BOND        61
            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 1
            55   52  53 1
            56   53  54 2
            57   54  55 1
            58   55  56 2
            59   56  57 1
            60   57  58 2
            61   53  58 1

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