KEGG   COMPOUND: C00566Help
Entry
C00566                      Compound                               

Name
(3S)-Citryl-CoA
Formula
C27H42N7O22P3S
Exact mass
941.1316
Mol weight
941.6424
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Carbon fixation pathways in prokaryotes
Metabolic pathways
Microbial metabolism in diverse environments
Carbon metabolism
Enzyme
2.8.3.10        4.1.3.34        6.2.1.18
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        60
            1   C1b C    30.2400  -35.6300
            2   C5a C    31.5000  -34.9300
            3   S2a S    32.6900  -35.6300
            4   C1b C    33.8800  -34.9300
            5   C1b C    35.1400  -35.6300
            6   N1b N    36.3300  -34.9300
            7   C5a C    37.5200  -35.6300
            8   C1b C    38.7800  -34.9300
            9   C1b C    39.9700  -35.6300
            10  N1b N    41.1600  -34.9300
            11  C5a C    42.4200  -35.6300
            12  C1c C    43.6100  -34.9300
            13  C1d C    44.8000  -35.6300
            14  C1b C    45.9900  -34.9300
            15  O2b O    47.2500  -35.6300
            16  O5a O    31.5000  -33.5300
            17  O5a O    37.5200  -37.0300
            18  O5a O    42.4200  -37.0300
            19  O1a O    43.6100  -33.5300
            20  C1a C    44.8000  -34.2300
            21  C1a C    44.8000  -37.0300
            22  P1b P    48.6500  -35.6300
            23  O1c O    50.0500  -35.6300
            24  O1c O    48.6500  -37.0300
            25  C1y C    42.1400  -30.6600
            26  C1y C    43.5400  -30.6600
            27  C1y C    43.9600  -29.3300
            28  O2x O    42.8400  -28.4900
            29  C1y C    41.7200  -29.3300
            30  C1b C    45.2900  -28.9100
            31  O1a O    41.3000  -31.7800
            32  O2b O    44.3800  -31.7800
            33  P1b P    45.7800  -31.7800
            34  O1c O    45.7800  -30.3800
            35  O1c O    47.1800  -31.7800
            36  O1c O    45.7800  -33.1800
            37  C8y C    37.5900  -27.5100
            38  C8y C    37.5900  -28.9100
            39  N4y N    40.0400  -28.9100
            40  C8x C    40.0400  -27.5100
            41  N5x N    38.7800  -26.8100
            42  C8y C    36.4000  -26.8100
            43  N5x N    35.1400  -27.5100
            44  C8x C    35.1400  -28.9100
            45  N5x N    36.4000  -29.6100
            46  N1a N    36.4000  -25.4100
            47  O2b O    47.2500  -29.3300
            48  P1b P    48.6500  -29.3300
            49  O1c O    48.6500  -27.9300
            50  O1c O    50.0500  -29.3300
            51  O2c O    48.6500  -32.5500
            52  C1d C    29.1200  -35.0000
            53  C1b C    28.2100  -36.0500
            54  C6a C    28.0000  -34.3700
            55  O1a O    29.7500  -33.5300
            56  C6a C    28.2100  -37.2400
            57  O6a O    26.8800  -35.0000
            58  O6a O    28.0000  -33.0400
            59  O6a O    27.0200  -37.9400
            60  O6a O    29.4000  -37.9400
BOND        62
            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 #Up
            56   52  54 1
            57   52  55 1 #Down
            58   53  56 1
            59   54  57 1
            60   54  58 2
            61   56  59 1
            62   56  60 2

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