KEGG   COMPOUND: C00882Help
Entry
C00882                      Compound                               

Name
Dephospho-CoA;
Dephosphocoenzyme A;
3'-Dephospho-CoA
Formula
C21H35N7O13P2S
Exact mass
687.1489
Mol weight
687.5542
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Pantothenate and CoA biosynthesis
Metabolic pathways
Enzyme
2.4.2.52        2.7.1.24        2.7.7.3         3.6.1.9
Other DBs
CAS: 
3633-59-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
KCF data Show

ATOM        44
            1   N4y N    27.5100  -16.1000
            2   C8y C    25.3400  -16.1000
            3   C1y C    27.0200  -18.2700
            4   C8x C    27.5100  -14.8400
            5   C8y C    25.3400  -14.8400
            6   N5x N    24.2200  -16.7300
            7   O2x O    25.9700  -17.5700
            8   C1y C    26.6000  -19.4600
            9   N5x N    26.3900  -14.2100
            10  C8y C    24.2200  -14.2100
            11  C8x C    23.1000  -16.1000
            12  C1y C    24.9200  -18.2700
            13  C1y C    25.3400  -19.4600
            14  O1a O    27.3700  -20.5100
            15  N5x N    23.1000  -14.8400
            16  N1a N    24.2200  -12.9500
            17  C1b C    23.7300  -17.9200
            18  O1a O    24.7100  -20.3700
            19  O2b O    22.3300  -18.6900
            20  P1b P    20.9300  -18.6900
            21  O2c O    20.9300  -21.0000
            22  O1c O    20.9300  -17.4300
            23  O1c O    19.6700  -18.6900
            24  P1b P    20.9300  -23.3100
            25  O2b O    22.2600  -23.3100
            26  O1c O    20.9300  -24.8500
            27  O1c O    19.6700  -23.3100
            28  C1b C    23.3100  -22.6800
            29  C1d C    24.4300  -23.3100
            30  C1c C    25.4800  -22.6800
            31  C5a C    26.6000  -23.3100
            32  O1a O    25.4800  -21.4200
            33  N1b N    27.7200  -22.6800
            34  O5a O    26.6000  -24.5700
            35  C1b C    28.7700  -23.3100
            36  C1b C    29.8900  -22.6800
            37  C5a C    31.0100  -23.3100
            38  N1b N    32.0600  -22.6800
            39  O5a O    31.0100  -24.5700
            40  C1b C    33.1800  -23.3100
            41  C1b C    34.2300  -22.6800
            42  S1a S    35.3500  -23.3100
            43  C1a C    23.4500  -24.3600
            44  C1a C    25.4100  -24.3600
BOND        46
            1     1   2 1
            2     3   1 1 #Up
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    7  12 1
            12    8  13 1
            13    8  14 1 #Down
            14   10  15 2
            15   10  16 1
            16   12  17 1 #Up
            17   13  18 1 #Down
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 2
            23   21  24 1
            24   24  25 1
            25   24  26 1
            26   24  27 2
            27   25  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 1 #Up
            32   31  33 1
            33   31  34 2
            34   33  35 1
            35   35  36 1
            36   36  37 1
            37   37  38 1
            38   37  39 2
            39   38  40 1
            40   40  41 1
            41   41  42 1
            42    5   9 1
            43   11  15 1
            44   12  13 1
            45   29  43 1
            46   29  44 1

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