KEGG   COMPOUND: C01063Help
Entry
C01063                      Compound                               

Name
6-Carboxyhexanoyl-CoA;
Pimeloyl-CoA
Formula
C28H46N7O19P3S
Exact mass
909.1782
Mol weight
909.6866
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Benzoate degradation
Biotin metabolism
Metabolic pathways
Microbial metabolism in diverse environments
Degradation of aromatic compounds
Module
M00123  
Biotin biosynthesis, pimeloyl-ACP/CoA => biotin
M00540  
Benzoate degradation, cyclohexanecarboxylic acid =>pimeloyl-CoA
M00577  
Biotin biosynthesis, BioW pathway, pimelate => pimeloyl-CoA => biotin
Enzyme
1.3.1.62        2.3.1.47        3.1.2.-         6.2.1.14
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        58
            1   C1b C    32.5724  -26.1800
            2   C5a C    33.7849  -25.4800
            3   S2a S    34.9973  -26.1800
            4   C1b C    36.2097  -25.4800
            5   C1b C    37.4222  -26.1800
            6   N1b N    38.6346  -25.4800
            7   C5a C    39.8470  -26.1800
            8   C1b C    41.0595  -25.4800
            9   C1b C    42.2719  -26.1800
            10  N1b N    43.4844  -25.4800
            11  C5a C    44.6968  -26.1800
            12  C1c C    45.9092  -25.4800
            13  C1d C    47.1217  -26.1800
            14  C1b C    48.3341  -25.4800
            15  O2b O    49.5465  -26.1800
            16  O5a O    33.7849  -24.0802
            17  O5a O    39.8470  -27.5799
            18  O5a O    44.6968  -27.5796
            19  O1a O    45.9092  -24.0800
            20  C1a C    47.1217  -24.7800
            21  C1a C    47.1217  -27.5800
            22  P1b P    50.9465  -26.1800
            23  O1c O    52.3465  -26.1800
            24  O1c O    50.9465  -27.5800
            25  C1y C    44.4500  -21.2100
            26  C1y C    45.8500  -21.2100
            27  C1y C    46.2826  -19.8785
            28  O2x O    45.1500  -19.0556
            29  C1y C    44.0174  -19.8785
            30  C1b C    47.6022  -19.4497
            31  O1a O    43.6271  -22.3426
            32  O2b O    46.6729  -22.3426
            33  P1b P    48.0729  -22.3426
            34  O1c O    48.0729  -20.9426
            35  O1c O    49.4729  -22.3426
            36  O1c O    48.0729  -23.7426
            37  C8y C    39.9000  -18.0600
            38  C8y C    39.9000  -19.4600
            39  N4y N    42.3249  -19.4600
            40  C8x C    42.3249  -18.0600
            41  N5x N    41.1124  -17.3600
            42  C8y C    38.6876  -17.3600
            43  N5x N    37.4751  -18.0600
            44  C8x C    37.4751  -19.4600
            45  N5x N    38.6876  -20.1600
            46  N1a N    38.6876  -15.9602
            47  O2b O    49.5845  -19.8820
            48  P1b P    50.9845  -19.8820
            49  O1c O    50.9845  -18.4820
            50  O1c O    52.3845  -19.8820
            51  O2c O    50.9845  -23.1020
            52  C1b C    31.3433  -25.4702
            53  C1b C    30.1392  -26.1653
            54  C1b C    28.9563  -25.4822
            55  C1b C    27.7626  -26.1714
            56  C6a C    26.5745  -25.4853
            57  O6a O    25.3835  -26.1730
            58  O6a O    26.5745  -24.0802
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 1
            56   53  54 1
            57   54  55 1
            58   55  56 1
            59   56  57 1
            60   56  58 2

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