KEGG   COMPOUND: C22248
Entry
C22248                      Compound                               

Name
UDP-2-acetamido-4-(D-alanylamino)-2,4,6-trideoxy-alpha-D-mannopyranose
Formula
C20H33N5O16P2
Exact mass
661.1398
Mol weight
661.4474
Structure
Reaction
Pathway
map00541  O-Antigen nucleotide sugar biosynthesis
map01100  Metabolic pathways
Enzyme
3.6.1.-         5.1.3.-
Other DBs
PubChem: 405226436
KCF data

ATOM        43
            1   C1y C    26.3455  -17.7272
            2   N4y N    27.3965  -15.4850
            3   O2x O    25.2244  -16.8864
            4   C1y C    25.9251  -18.9884
            5   C8y C    26.2755  -14.7843
            6   C8x C    28.5877  -14.7843
            7   C1y C    24.1734  -17.6571
            8   C1y C    24.5938  -18.9884
            9   O1a O    26.7659  -19.9693
            10  N4x N    26.2755  -13.4530
            11  O5x O    25.0843  -15.4850
            12  C8x C    28.5877  -13.4530
            13  C1b C    22.8421  -17.2367
            14  O1a O    23.8231  -19.9693
            15  C8y C    27.3965  -12.7524
            16  O2b O    22.5619  -15.9054
            17  O5x O    27.3965  -11.4211
            18  P1b P    21.3006  -15.9054
            19  O2c O    19.9693  -15.9054
            20  O1c O    21.3006  -14.5741
            21  O1c O    21.3006  -17.3068
            22  P1b P    18.5680  -15.9054
            23  O2b O    17.2367  -15.9054
            24  O1c O    18.5680  -14.5741
            25  O1c O    18.5680  -17.3068
            26  C1y C    15.9054  -16.6762
            27  C1y C    15.9054  -18.0074
            28  O2x O    14.7143  -15.9755
            29  C1y C    14.7143  -18.7081
            30  N1b N    17.5870  -18.9183
            31  C1y C    13.5231  -16.6762
            32  C1y C    13.5231  -18.0074
            33  O1a O    14.7143  -20.1095
            34  C5a C    18.7081  -19.6891
            35  C1a C    12.5422  -15.4850
            36  N1b N    12.3319  -18.7081
            37  C1a C    18.7081  -21.0204
            38  O5a O    19.8292  -18.9183
            39  C5a C    11.0707  -18.0074
            40  C1c C     9.9496  -18.7081
            41  N1a N     8.6884  -18.0074
            42  C1a C     9.9496  -20.0394
            43  O5a O    11.0708  -16.6762
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 #Up
            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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