KEGG   COMPOUND: C04738Help
Entry
C04738                      Compound                               

Name
UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine;
UDP-3-O-(beta-hydroxymyristoyl)-N-acetylglucosamine;
UDP-3-O-[(3R)-3-hydroxymyristoyl]-N-acetylglucosamine
Formula
C31H53N3O19P2
Exact mass
833.2749
Mol weight
833.7087
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
Enzyme
2.3.1.129       3.5.1.108
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL01 Acylaminosugars
   SL0101 Monoacylaminosugars
    C04738  UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        55
            1   C1y C    21.0917  -21.1198
            2   C1y C    21.0917  -22.4916
            3   O2x O    19.9068  -20.4400
            4   O2b O    22.2641  -20.4339
            5   C1y C    19.9068  -23.1837
            6   N1b N    22.9811  -23.6078
            7   C1y C    18.7283  -21.1198
            8   P1b P    23.6298  -20.4400
            9   C1y C    18.7283  -22.4916
            10  O7a O    19.9007  -24.5370
            11  C5a C    24.6212  -22.9843
            12  C1b C    17.5558  -20.4400
            13  O2c O    24.9828  -20.4400
            14  O1c O    23.6298  -19.0806
            15  O1c O    23.6298  -21.7932
            16  O1a O    17.5496  -23.1651
            17  C7a C    19.8943  -25.8965
            18  C1a C    25.7936  -23.6640
            19  O5a O    24.6087  -21.6249
            20  P1b P    26.3424  -20.4400
            21  C1b C    21.0667  -26.5762
            22  O6a O    18.7221  -26.5762
            23  O2b O    27.6955  -20.4461
            24  O1c O    26.3424  -19.0806
            25  O1c O    26.3361  -21.7932
            26  C1c C    22.2453  -25.8965
            27  C1b C    27.9886  -21.7683
            28  C1b C    23.4177  -26.5762
            29  O1a O    22.2453  -24.5370
            30  C1y C    29.2795  -22.1799
            31  C1b C    24.5901  -25.8965
            32  O2x O    30.3582  -21.4003
            33  C1y C    29.7160  -23.4769
            34  C1b C    25.7686  -26.5762
            35  C1y C    31.4745  -22.2110
            36  C1y C    31.0691  -23.4769
            37  O1a O    28.9239  -24.5808
            38  C1b C    26.9410  -25.8965
            39  N4y N    32.5347  -20.0034
            40  O1a O    31.8736  -24.5745
            41  C1b C    28.1134  -26.5762
            42  C8y C    31.3685  -19.3050
            43  C8x C    33.7321  -19.3050
            44  C1b C    29.2919  -25.8965
            45  N4x N    31.3685  -17.9332
            46  O5x O    30.1898  -19.9723
            47  C8x C    33.7321  -17.9332
            48  C1b C    30.4643  -26.5762
            49  C8y C    32.5409  -17.2534
            50  C1b C    31.6366  -25.8965
            51  O5x O    32.5347  -15.8940
            52  C1b C    32.8154  -26.5762
            53  C1b C    33.9876  -25.8965
            54  C1a C    35.1663  -26.5762
            55  O1a O    16.3528  -21.1317
BOND        57
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Down
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 1 #Up
            10    6  11 1
            11    7  12 1 #Up
            12    8  13 1
            13    8  14 1
            14    8  15 2
            15    9  16 1 #Down
            16   10  17 1
            17   11  18 1
            18   11  19 2
            19   13  20 1
            20   17  21 1
            21   17  22 2
            22   20  23 1
            23   20  24 1
            24   20  25 2
            25   21  26 1
            26   23  27 1
            27   26  28 1
            28   26  29 1 #Down
            29   30  27 1 #Up
            30   28  31 1
            31   30  32 1
            32   30  33 1
            33   31  34 1
            34   32  35 1
            35   33  36 1
            36   33  37 1 #Down
            37   34  38 1
            38   35  39 1 #Up
            39   36  40 1 #Down
            40   38  41 1
            41   39  42 1
            42   39  43 1
            43   41  44 1
            44   42  45 1
            45   42  46 2
            46   43  47 2
            47   44  48 1
            48   45  49 1
            49   48  50 1
            50   49  51 2
            51   50  52 1
            52   52  53 1
            53   53  54 1
            54    7   9 1
            55   35  36 1
            56   47  49 1
            57   12  55 1

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