KEGG   COMPOUND: C22247
Entry
C22247                      Compound                               

Name
UDP-2-acetamido-4-(D-alanylamino)-2,4,6-trideoxy-alpha-D-glucose
Formula
C20H33N5O16P2
Exact mass
661.1398
Mol weight
661.4474
Structure
Reaction
Pathway
map00541  O-Antigen nucleotide sugar biosynthesis
map01100  Metabolic pathways
Enzyme
5.1.3.-
LinkDB
KCF data

ATOM        43
            1   C1y C    26.3484  -17.6802
            2   N4y N    27.3966  -15.4440
            3   O2x O    25.2302  -16.8416
            4   C1y C    25.9290  -18.9380
            5   C8y C    26.2785  -14.7451
            6   C8x C    28.5846  -14.7451
            7   C1y C    24.1820  -17.6103
            8   C1y C    24.6014  -18.9380
            9   O1a O    26.7676  -19.9164
            10  N4x N    26.2785  -13.4174
            11  O5x O    25.0905  -15.4440
            12  C8x C    28.5846  -13.4174
            13  C1b C    22.8544  -17.1910
            14  O1a O    23.8327  -19.9164
            15  C8y C    27.3966  -12.7185
            16  O2b O    22.5749  -15.8632
            17  O5x O    27.3966  -11.3909
            18  P1b P    21.2471  -15.8632
            19  O2c O    19.9193  -15.8632
            20  O1c O    21.2471  -14.5355
            21  O1c O    21.2471  -17.2609
            22  P1b P    18.5218  -15.8632
            23  O2b O    17.1940  -15.8632
            24  O1c O    18.5218  -14.5355
            25  O1c O    18.5218  -17.2609
            26  C1y C    15.8662  -16.6319
            27  C1y C    15.8662  -17.9597
            28  O2x O    14.6783  -15.9332
            29  C1y C    14.6783  -18.6585
            30  N1b N    17.5433  -18.8681
            31  C1y C    13.4902  -16.6319
            32  C1y C    13.4902  -17.9597
            33  O1a O    14.6783  -20.0562
            34  C5a C    18.6615  -19.6368
            35  C1a C    12.5119  -15.4441
            36  N1b N    12.3023  -18.6585
            37  C1a C    18.6615  -21.0345
            38  O5a O    19.7796  -18.8681
            39  C5a C    11.0843  -17.9685
            40  C1c C     9.9061  -18.6617
            41  N1a N     8.7024  -17.9796
            42  C1a C     9.9175  -20.0536
            43  O5a O    11.0725  -16.5604
BOND        45
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1 #Up
            13    8  14 1 #Down
            14   10  15 1
            15   13  16 1
            16   15  17 2
            17   16  18 1
            18   18  19 1
            19   18  20 1
            20   18  21 2
            21   19  22 1
            22   22  23 1
            23   22  24 1
            24   22  25 2
            25   26  23 1 #Down
            26   26  27 1
            27   26  28 1
            28   27  29 1
            29   27  30 1 #Down
            30   28  31 1
            31   29  32 1
            32   29  33 1 #Up
            33   30  34 1
            34   31  35 1 #Up
            35   32  36 1 #Down
            36   34  37 1
            37   34  38 2
            38    7   8 1
            39   12  15 1
            40   31  32 1
            41   36  39 1
            42   39  40 1
            43   40  41 1 #Up
            44   40  42 1
            45   39  43 2

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