KEGG   COMPOUND: C00582Help
Entry
C00582                      Compound                               

Name
Phenylacetyl-CoA;
Phenylacetyl coenzyme A
Formula
C29H42N7O17P3S
Exact mass
885.1571
Mol weight
885.6668
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00360  Phenylalanine metabolism
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.149     1.17.5.1        2.3.1.14        2.3.1.164       
2.3.1.192       3.1.2.-         6.2.1.30
Other DBs
PubChem: 3861
ChEBI: 15537
ChEMBL: CHEMBL3526286
KNApSAcK: C00007536
PDB-CCD: FAQ[PDBj]
3DMET: B04702
NIKKAJI: J363.723I
LinkDB All DBs
KCF data Show

ATOM        57
            1   C1b C    30.1924  -34.7900
            2   C5a C    31.4049  -34.0900
            3   S2a S    32.6173  -34.7900
            4   C1b C    33.8297  -34.0900
            5   C1b C    35.0422  -34.7900
            6   N1b N    36.2546  -34.0900
            7   C5a C    37.4670  -34.7900
            8   C1b C    38.6795  -34.0900
            9   C1b C    39.8919  -34.7900
            10  N1b N    41.1044  -34.0900
            11  C5a C    42.3168  -34.7900
            12  C1c C    43.5292  -34.0900
            13  C1d C    44.7417  -34.7900
            14  C1b C    45.9541  -34.0900
            15  O2b O    47.1665  -34.7900
            16  O5a O    31.4049  -32.6902
            17  O5a O    37.4670  -36.1899
            18  O5a O    42.3168  -36.1896
            19  O1a O    43.5292  -32.6900
            20  C1a C    44.7417  -33.3900
            21  C1a C    44.7417  -36.1900
            22  P1b P    48.5665  -34.7900
            23  O1c O    49.9665  -34.7900
            24  O1c O    48.5665  -36.1900
            25  C1y C    42.0700  -29.8200
            26  C1y C    43.4700  -29.8200
            27  C1y C    43.9026  -28.4885
            28  O2x O    42.7700  -27.6656
            29  C1y C    41.6374  -28.4885
            30  C1b C    45.2222  -28.0597
            31  O1a O    41.2471  -30.9526
            32  O2b O    44.2929  -30.9526
            33  P1b P    45.6929  -30.9526
            34  O1c O    45.6929  -29.5526
            35  O1c O    47.0929  -30.9526
            36  O1c O    45.6929  -32.3526
            37  C8y C    37.5200  -26.6700
            38  C8y C    37.5200  -28.0700
            39  N4y N    39.9449  -28.0700
            40  C8x C    39.9449  -26.6700
            41  N5x N    38.7324  -25.9700
            42  C8y C    36.3076  -25.9700
            43  N5x N    35.0951  -26.6700
            44  C8x C    35.0951  -28.0700
            45  N5x N    36.3076  -28.7700
            46  N1a N    36.3076  -24.5702
            47  O2b O    47.2045  -28.4920
            48  P1b P    48.6045  -28.4920
            49  O1c O    48.6045  -27.0920
            50  O1c O    50.0045  -28.4920
            51  O2c O    48.6045  -31.7120
            52  C8y C    28.9633  -34.0802
            53  C8x C    28.9636  -32.6901
            54  C8x C    27.7513  -31.9898
            55  C8x C    26.5387  -32.6896
            56  C8x C    26.5384  -34.0796
            57  C8x C    27.7507  -34.7799
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 1
            55   52  53 2
            56   53  54 1
            57   54  55 2
            58   55  56 1
            59   56  57 2
            60   52  57 1

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