KEGG   COMPOUND: C03058Help
Entry
C03058                      Compound                               

Name
2-Hydroxyglutaryl-CoA
Formula
C26H42N7O20P3S
Exact mass
897.1418
Mol weight
897.6329
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Butanoate metabolism
Enzyme
2.8.3.12        4.2.1.-
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C1c C    31.4524  -34.5800
            2   C5a C    32.6649  -33.8800
            3   S2a S    33.8773  -34.5800
            4   C1b C    35.0897  -33.8800
            5   C1b C    36.3022  -34.5800
            6   N1b N    37.5146  -33.8800
            7   C5a C    38.7270  -34.5800
            8   C1b C    39.9395  -33.8800
            9   C1b C    41.1519  -34.5800
            10  N1b N    42.3644  -33.8800
            11  C5a C    43.5768  -34.5800
            12  C1c C    44.7892  -33.8800
            13  C1d C    46.0017  -34.5800
            14  C1b C    47.2141  -33.8800
            15  O2b O    48.4265  -34.5800
            16  O5a O    32.6649  -32.4802
            17  O5a O    38.7270  -35.9799
            18  O5a O    43.5768  -35.9796
            19  O1a O    44.7892  -32.4800
            20  C1a C    46.0017  -33.1800
            21  C1a C    46.0017  -35.9800
            22  P1b P    49.8265  -34.5800
            23  O1c O    51.2265  -34.5800
            24  O1c O    49.8265  -35.9800
            25  C1y C    43.3300  -29.6100
            26  C1y C    44.7300  -29.6100
            27  C1y C    45.1626  -28.2785
            28  O2x O    44.0300  -27.4556
            29  C1y C    42.8974  -28.2785
            30  C1b C    46.4822  -27.8497
            31  O1a O    42.5071  -30.7426
            32  O2b O    45.5529  -30.7426
            33  P1b P    46.9529  -30.7426
            34  O1c O    46.9529  -29.3426
            35  O1c O    48.3529  -30.7426
            36  O1c O    46.9529  -32.1426
            37  C8y C    38.7800  -26.4600
            38  C8y C    38.7800  -27.8600
            39  N4y N    41.2049  -27.8600
            40  C8x C    41.2049  -26.4600
            41  N5x N    39.9924  -25.7600
            42  C8y C    37.5676  -25.7600
            43  N5x N    36.3551  -26.4600
            44  C8x C    36.3551  -27.8600
            45  N5x N    37.5676  -28.5600
            46  N1a N    37.5676  -24.3602
            47  O2b O    48.4645  -28.2820
            48  P1b P    49.8645  -28.2820
            49  O1c O    49.8645  -26.8820
            50  O1c O    51.2645  -28.2820
            51  O2c O    49.8645  -31.5020
            52  C1b C    30.2176  -33.8800
            53  C1b C    29.0051  -34.5800
            54  C6a C    27.7927  -33.8800
            55  O6a O    26.5803  -34.5800
            56  O1a O    31.4579  -35.9797
            57  O6a O    27.7927  -32.4800
BOND        59
            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 1
            57   54  55 1
            58    1  56 1
            59   54  57 2

» Japanese version

DBGET integrated database retrieval system