KEGG   COMPOUND: C22256
Entry
C22256                      Compound                               

Name
CMP-5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-D-galacto-non-2-ulosonic acid;
CMP-di-N-acetyl-8-epilegionaminic acid;
CMP-N,N'-diacetyl-8-epilegionaminate;
CMP-8eLeg5Ac7Ac
Formula
C22H34N5O15P
Exact mass
639.1789
Mol weight
639.5036
Structure
Reaction
Pathway
map00541  O-Antigen nucleotide sugar biosynthesis
map01100  Metabolic pathways
Enzyme
2.7.7.-
LinkDB
KCF data

ATOM        43
            1   C1y C    12.6909  -15.6501
            2   C1y C    12.6909  -17.0412
            3   O2x O    13.8038  -14.9546
            4   C1c C    11.5085  -14.9546
            5   C1y C    13.8038  -17.7367
            6   N1b N    11.5085  -17.7367
            7   C1z C    15.0558  -15.6501
            8   C1c C    11.5085  -13.2157
            9   N1b N    10.2565  -15.6501
            10  C1x C    15.0558  -17.0412
            11  O1a O    13.8038  -19.1278
            12  C5a C    11.5085  -19.1278
            13  O2b O    16.3773  -15.9979
            14  C1a C    10.2565  -12.5202
            15  O1a O    12.6909  -12.5202
            16  C1a C    10.2565  -19.8233
            17  O5a O    12.6909  -19.8233
            18  C5a C     9.0741  -14.9546
            19  C1a C     7.9613  -15.6501
            20  O5a O     9.0741  -13.6330
            21  C1y C    22.0807  -15.5805
            22  C1y C    22.4980  -16.9021
            23  C1y C    23.8891  -16.9021
            24  C1y C    24.3064  -15.5805
            25  O2x O    23.1936  -14.7459
            26  C1b C    20.7592  -15.0937
            27  N4y N    25.6280  -15.2328
            28  C8y C    26.8104  -15.9283
            29  C8x C    25.6280  -13.8417
            30  N5x N    28.0624  -15.2328
            31  O5x O    26.8104  -17.3194
            32  C8x C    26.8104  -13.1462
            33  C8y C    28.0624  -13.8417
            34  N1a N    29.2448  -13.1462
            35  O1a O    24.7238  -18.0149
            36  O1a O    21.6634  -18.0149
            37  O2b O    19.7159  -15.9979
            38  P1b P    18.3248  -15.9979
            39  O1c O    18.3248  -14.6068
            40  O1c O    18.3248  -17.3890
            41  C6a C    15.0558  -14.2590
            42  O6a O    16.2382  -13.5635
            43  O6a O    14.2907  -13.4244
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    7  13 1 #Up
            13    8  14 1
            14    8  15 1 #Down
            15   12  16 1
            16   12  17 2
            17    7  10 1
            18    9  18 1
            19   18  19 1
            20   18  20 2
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   21  25 1
            26   21  26 1 #Up
            27   27  28 1
            28   27  29 1
            29   28  30 1
            30   28  31 2
            31   29  32 2
            32   30  33 2
            33   33  34 1
            34   32  33 1
            35   24  27 1 #Up
            36   23  35 1 #Down
            37   22  36 1 #Down
            38   26  37 1
            39   37  38 1
            40   38  39 2
            41   38  40 1
            42   38  13 1
            43    7  41 1 #Down
            44   41  42 1
            45   41  43 2

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