KEGG   COMPOUND: C22161Help
Entry
C22161                      Compound                               

Name
Dihydrolipoyl-AMP
Formula
C18H28N5O8PS2
Exact mass
537.1117
Mol weight
537.5474
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00785  Lipoic acid metabolism
map01100  Metabolic pathways
KCF data Show

ATOM        34
            1   C1c C     9.4663  -16.2548
            2   C1b C    10.6573  -16.9554
            3   C1b C    11.9183  -16.2548
            4   C1b C    13.1092  -16.9554
            5   C1b C    14.3002  -16.2548
            6   C7a C    15.5612  -16.9554
            7   O6a O    15.5612  -18.3565
            8   N4y N    25.4391  -15.4142
            9   C8y C    26.4899  -16.1147
            10  C1y C    24.1080  -15.8345
            11  C8x C    25.9295  -14.0130
            12  C8y C    27.7509  -15.2040
            13  N5x N    26.6300  -17.5859
            14  O2x O    22.9871  -14.9238
            15  C1y C    23.6877  -17.0955
            16  N5x N    27.3306  -14.0130
            17  C8y C    29.0119  -15.7644
            18  C8x C    27.9611  -18.1463
            19  C1y C    21.8662  -15.7644
            20  C1y C    22.2866  -17.0955
            21  N5x N    29.1521  -17.2356
            22  N1a N    30.0628  -14.9238
            23  C1b C    20.5352  -15.3441
            24  O2b O    19.4843  -16.2548
            25  P1b P    18.0832  -16.2548
            26  O1c O    18.0832  -17.6559
            27  O1c O    18.0832  -14.8537
            28  O7a O    16.6821  -16.2548
            29  O1a O    21.6685  -18.2957
            30  O1a O    24.2968  -18.3022
            31  C1b C     8.2376  -16.9400
            32  C1b C     7.0251  -16.2400
            33  S1a S     7.0251  -14.8400
            34  S1a S     9.4663  -14.8548
BOND        36
            1     1   2 1 #Down
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     8   9 1
            8    10   8 1 #Up
            9     8  11 1
            10    9  12 2
            11    9  13 1
            12   10  14 1
            13   10  15 1
            14   11  16 2
            15   12  17 1
            16   13  18 2
            17   14  19 1
            18   15  20 1
            19   17  21 2
            20   17  22 1
            21   19  23 1 #Up
            22   23  24 1
            23   24  25 1
            24   25  26 2
            25   25  27 1
            26   12  16 1
            27   18  21 1
            28   19  20 1
            29   25  28 1
            30    6  28 1
            31   20  29 1 #Down
            32   15  30 1 #Down
            33    1  31 1
            34   31  32 1
            35   32  33 1
            36    1  34 1

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