KEGG   COMPOUND: C06398Help
Entry
C06398                      Compound                               

Name
ADP-L-glycero-beta-D-manno-heptose
Formula
C17H27N5O16P2
Exact mass
619.0928
Mol weight
619.3677
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
ADP-D-glycero-beta-D-manno-heptose [CPD:C06397]
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00064  
ADP-L-glycero-D-manno-heptose biosynthesis
M00080  
Lipopolysaccharide biosynthesis, inner core => outer core => O-antigen
Enzyme
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   N4y N    32.7542  -19.3998
            2   C8y C    33.8197  -20.1393
            3   C1y C    31.4672  -19.8191
            4   C8x C    33.2317  -18.0023
            5   C8y C    35.0544  -19.2310
            6   N5x N    33.9536  -21.5660
            7   O2x O    30.3260  -18.9690
            8   C1y C    31.0306  -21.0768
            9   N5x N    34.6817  -18.0082
            10  C8y C    36.3120  -19.7900
            11  C8x C    35.2813  -22.1542
            12  C1y C    29.2195  -19.7609
            13  C1y C    29.6505  -21.0768
            14  O1a O    31.8399  -22.2123
            15  N5x N    36.4692  -21.2749
            16  N1a N    37.4184  -18.9631
            17  C1b C    27.8977  -19.3300
            18  O1a O    29.2021  -22.3929
            19  O2b O    26.8612  -20.2617
            20  P1b P    25.4638  -20.2617
            21  O2c O    24.0720  -20.2617
            22  O1c O    25.4579  -21.6534
            23  O1c O    25.4579  -18.8699
            24  P1b P    22.6804  -20.2557
            25  O1c O    22.6746  -21.6476
            26  O2b O    21.2886  -20.2557
            27  O1c O    22.6746  -18.8582
            28  C1y C    17.6754  -21.0031
            29  O2x O    18.8843  -20.3059
            30  C1y C    17.7406  -22.3959
            31  C1c C    16.4657  -20.2954
            32  C1y C    20.0999  -21.0078
            33  C1y C    18.8685  -23.1030
            34  O1a O    16.4560  -23.0870
            35  O1a O    15.2568  -20.9926
            36  C1y C    20.0833  -22.4061
            37  O1a O    18.8637  -24.4959
            38  O1a O    21.2929  -23.1136
            39  C1b C    16.4657  -18.8964
            40  O1a O    15.2322  -18.1842
BOND        43
            1     8  14 1 #Down
            2    10  15 2
            3    10  16 1
            4    12  17 1 #Up
            5    13  18 1 #Down
            6    17  19 1
            7    19  20 1
            8    20  21 1
            9    20  22 1
            10   20  23 2
            11   21  24 1
            12   24  25 1
            13   24  26 1
            14   24  27 2
            15    5   9 1
            16   11  15 1
            17   12  13 1
            18    1   2 1
            19    3   1 1 #Up
            20    1   4 1
            21    2   5 2
            22    2   6 1
            23    3   7 1
            24    3   8 1
            25    4   9 2
            26    5  10 1
            27    6  11 2
            28    7  12 1
            29    8  13 1
            30   28  29 1
            31   28  30 1
            32   28  31 1 #Up
            33   29  32 1
            34   30  33 1
            35   30  34 1 #Down
            36   31  35 1 #Up
            37   32  36 1
            38   32  26 1 #Up
            39   33  37 1 #Up
            40   36  38 1 #Up
            41   33  36 1
            42   31  39 1
            43   39  40 1

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