KEGG   COMPOUND: C04121
Entry
C04121                      Compound                               
Name
CMP-3-deoxy-D-manno-octulosonate;
CMP-KDO;
CMP-beta-KDO
Formula
C17H26N3O15P
Exact mass
543.1102
Mol weight
543.37
Structure
Reaction
Pathway
map00540  Lipopolysaccharide biosynthesis
map00541  Biosynthesis of various nucleotide sugars
map01100  Metabolic pathways
map01250  Biosynthesis of nucleotide sugars
Module
M00063  CMP-KDO biosynthesis, ribulose-5P => CMP-KDO
Enzyme
2.4.99.12       2.4.99.13       2.4.99.14       2.4.99.15       
2.7.7.38
Brite
Nucleotide sugars [br08020.html]
 Monosaccharides vs nucleotides
  C04121
Other DBs
PubChem: 6808
ChEBI: 86284
PDB-CCD: CMK[PDBj]
J-GLOBAL: J2.746.452A
LinkDB
KCF data

ATOM        36
            1   C1z C    15.2704  -15.8953
            2   O2x O    14.1314  -15.2358
            3   C1x C    15.2704  -17.2058
            4   O2b O    17.3606  -17.4660
            5   C6a C    16.3961  -15.2358
            6   C1y C    12.9943  -15.8953
            7   C1y C    14.1314  -17.8824
            8   P1b P    18.6782  -17.4660
            9   O6a O    16.3672  -13.9310
            10  O6a O    17.5222  -15.8953
            11  C1y C    12.9943  -17.2058
            12  O1a O    14.1373  -19.1816
            13  O2b O    19.9774  -17.4660
            14  O1c O    18.6782  -18.9103
            15  O1c O    18.6782  -15.9472
            16  C1b C    21.2892  -17.4660
            17  C1y C    22.5310  -17.8537
            18  O2x O    23.5883  -17.0843
            19  C1y C    22.9473  -19.0955
            20  C1y C    24.6625  -17.8709
            21  C1y C    24.2762  -19.0955
            22  O1a O    22.1962  -20.1585
            23  N4y N    25.4951  -15.6807
            24  O1a O    25.0444  -20.1471
            25  C8y C    24.3506  -15.0169
            26  C8x C    26.6384  -15.0398
            27  N5x N    24.3106  -13.7052
            28  O5x O    23.2247  -15.6634
            29  C8x C    26.6384  -13.7109
            30  C8y C    25.5009  -13.0468
            31  N1a N    25.5009  -11.7407
            32  C1c C    11.7992  -15.1846
            33  C1b C    11.8041  -13.8120
            34  O1a O    10.6177  -13.1216
            35  O1a O    10.6007  -15.8635
            36  O1a O    11.7910  -17.8904
BOND        38
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15   13  16 1
            16   17  16 1 #Up
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   19  21 1
            21   19  22 1 #Down
            22   20  23 1 #Up
            23   21  24 1 #Down
            24   23  25 1
            25   23  26 1
            26   25  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 2
            30   30  31 1
            31    7  11 1
            32   20  21 1
            33   29  30 1
            34    6  32 1
            35   32  33 1
            36   33  34 1
            37   32  35 1 #Down
            38   11  36 1 #Up

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