KEGG   COMPOUND: C06022
Entry
C06022                      Compound                               
Name
UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine;
UDP-3-O-(beta-hydroxymyristoyl)-D-glucosamine;
UDP-3-O-[(3R)-3-hydroxymyristoyl]-D-glucosamine;
UDP-3-O-[(3R)-3-hydroxymyristoyl]-alpha-D-glucosamine
Formula
C29H51N3O18P2
Exact mass
791.2643
Mol weight
791.6721
Structure
Reaction
Pathway
map00540  Lipopolysaccharide biosynthesis
map01100  Metabolic pathways
Module
M00060  KDO2-lipid A biosynthesis, Raetz pathway, LpxL-LpxM type
Enzyme
2.3.1.191       3.5.1.108
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL01 Acylaminosugars
   SL0101 Monoacylaminosugars
    C06022  UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine
Other DBs
PubChem: 8294
ChEBI: 71619
LIPIDMAPS: LMSL01010001
PDB-CCD: 24G[PDBj]
3DMET: B05147
NIKKAJI: J2.760.898A
KCF data

ATOM        52
            1   C1y C    31.5875  -22.1196
            2   N4y N    32.9949  -20.1516
            3   O2x O    30.5238  -21.2534
            4   C1y C    31.0906  -23.3998
            5   C8y C    31.7912  -19.4700
            6   C8x C    34.1861  -19.4510
            7   C1y C    29.3710  -21.9986
            8   C1y C    29.7212  -23.3233
            9   O1a O    31.7722  -24.5908
            10  N4x N    31.7785  -18.0816
            11  O5x O    30.5875  -20.1516
            12  C8x C    34.1796  -18.0689
            13  C1b C    28.0462  -21.6420
            14  O1a O    29.0207  -24.5145
            15  C8y C    32.9759  -17.3810
            16  O2b O    27.6895  -20.3108
            17  O5x O    32.9632  -15.9926
            18  P1b P    26.3074  -20.3108
            19  O2c O    24.9189  -20.3108
            20  O1c O    26.3011  -18.9287
            21  O1c O    26.3011  -21.6992
            22  P1b P    23.5368  -20.3108
            23  O2b O    22.1484  -20.3108
            24  O1c O    23.5305  -18.9287
            25  O1c O    23.5305  -21.6992
            26  C1y C    20.9637  -21.0114
            27  C1y C    20.9637  -22.3998
            28  O2x O    19.7664  -20.3173
            29  C1y C    19.7664  -23.0878
            30  N1a N    22.1484  -23.0878
            31  C1y C    18.5625  -21.0114
            32  C1y C    18.5625  -22.3998
            33  O7a O    19.7472  -24.4762
            34  C1b C    17.3653  -20.3173
            35  O1a O    17.3653  -23.0814
            36  C7a C    19.7410  -25.8584
            37  C1b C    20.9319  -26.5462
            38  O6a O    18.5435  -26.5462
            39  C1c C    22.1294  -25.8519
            40  C1b C    23.3203  -26.5398
            41  O1a O    22.1166  -24.4698
            42  C1b C    24.5113  -25.8456
            43  C1b C    25.7087  -26.5335
            44  C1b C    26.8997  -25.8392
            45  C1b C    28.0909  -26.5207
            46  C1b C    29.2818  -25.8329
            47  C1b C    30.4793  -26.5143
            48  C1b C    31.6702  -25.8202
            49  C1b C    32.8612  -26.5080
            50  C1b C    34.0586  -25.8137
            51  C1a C    35.2496  -26.5015
            52  O1a O    16.1575  -21.0169
BOND        54
            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   31  34 1 #Up
            34   32  35 1 #Down
            35   33  36 1
            36   36  37 1
            37   36  38 2
            38   37  39 1
            39   39  40 1
            40   39  41 1 #Down
            41   40  42 1
            42   42  43 1
            43   43  44 1
            44   44  45 1
            45   45  46 1
            46   46  47 1
            47   47  48 1
            48   48  49 1
            49   49  50 1
            50   50  51 1
            51    7   8 1
            52   12  15 1
            53   31  32 1
            54   34  52 1

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