KEGG   COMPOUND: C04652Help
Entry
C04652                      Compound                               

Name
UDP-2,3-bis(3-hydroxytetradecanoyl)glucosamine;
UDP-2,3-bis(beta-hydroxymyristoyl)-D-glucosamine;
UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine;
UDP-2,3-bis[O-(3R)-3-hydroxymyristoyl]-alpha-D-glucosamine
Formula
C43H77N3O20P2
Exact mass
1017.4576
Mol weight
1018.0271
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Lipopolysaccharide biosynthesis
Metabolic pathways
Module
M00060  
Lipopolysaccharide biosynthesis, KDO2-lipid A
Enzyme
2.3.1.191       2.4.1.182       3.6.1.54
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL01 Acylaminosugars
   SL0102 Diacylaminosugars
    C04652  UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        68
            1   C1y C    24.5302  -21.6487
            2   C1y C    24.5302  -20.2604
            3   C1y C    23.3204  -22.3491
            4   N1b N    25.7146  -22.3298
            5   O2x O    23.3204  -19.5728
            6   O2b O    26.0519  -19.1335
            7   C1y C    22.1360  -21.6487
            8   O7a O    23.3204  -23.7181
            9   C5a C    25.7081  -23.6989
            10  C1y C    22.1360  -20.2604
            11  P1b P    27.4337  -19.1398
            12  O1a O    20.9391  -22.3298
            13  C7a C    23.2949  -25.0806
            14  C1b C    26.8989  -24.3865
            15  O5a O    24.5237  -24.3930
            16  C1b C    20.9453  -19.5728
            17  O2c O    28.8027  -19.1398
            18  O1c O    27.4337  -17.7645
            19  O1c O    27.4337  -20.5088
            20  C1b C    22.1360  -25.7810
            21  O6a O    24.5175  -25.7810
            22  C1c C    28.0896  -23.6989
            23  P1b P    30.1780  -19.1398
            24  C1c C    20.9453  -25.0934
            25  C1b C    29.2802  -24.3865
            26  O1a O    28.0896  -22.3298
            27  O2b O    31.5533  -19.1398
            28  O1c O    30.1780  -17.7645
            29  O1c O    30.1780  -20.5088
            30  C1b C    19.7547  -25.7810
            31  O1a O    20.9453  -23.7181
            32  C1b C    30.4709  -23.6989
            33  C1b C    31.8463  -20.4833
            34  C1b C    18.5703  -25.0934
            35  C1b C    31.6617  -24.3865
            36  C1y C    33.1579  -20.9036
            37  C1b C    17.3797  -25.7810
            38  C1b C    32.8523  -23.6989
            39  O2x O    34.2531  -20.1077
            40  C1y C    33.6037  -22.2154
            41  C1b C    16.1890  -25.0934
            42  C1b C    34.0430  -24.3865
            43  C1y C    35.3802  -20.9291
            44  C1y C    34.9727  -22.2154
            45  O1a O    32.4321  -23.0430
            46  C1b C    14.9982  -25.7810
            47  C1b C    34.0430  -25.7620
            48  N4y N    36.4562  -18.6942
            49  O1a O    35.7878  -23.3233
            50  C1b C    14.9982  -27.1500
            51  C1b C    32.8523  -26.4496
            52  C8y C    35.2718  -17.9874
            53  C8x C    37.6661  -17.9874
            54  C1b C    16.1890  -27.8377
            55  C1b C    31.6617  -25.7620
            56  N4x N    35.2718  -16.5929
            57  O5x O    34.0749  -18.6687
            58  C8x C    37.6661  -16.5929
            59  C1b C    17.3797  -27.1500
            60  C1b C    30.4709  -26.4496
            61  C8y C    36.4627  -15.9117
            62  C1b C    18.5703  -27.8377
            63  C1b C    29.2802  -25.7620
            64  O5x O    36.4562  -14.5362
            65  C1b C    19.7547  -27.1500
            66  C1a C    28.0896  -26.4496
            67  C1a C    20.9453  -27.8377
            68  O1a O    19.7095  -20.2859
BOND        70
            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     3   8 1 #Up
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1 #Down
            12    8  13 1
            13    9  14 1
            14    9  15 2
            15   10  16 1 #Up
            16   11  17 1
            17   11  18 1
            18   11  19 2
            19   13  20 1
            20   13  21 2
            21   14  22 1
            22   17  23 1
            23   20  24 1
            24   22  25 1
            25   22  26 1 #Down
            26   23  27 1
            27   23  28 1
            28   23  29 2
            29   24  30 1
            30   24  31 1 #Up
            31   25  32 1
            32   27  33 1
            33   30  34 1
            34   32  35 1
            35   36  33 1 #Up
            36   34  37 1
            37   35  38 1
            38   36  39 1
            39   36  40 1
            40   37  41 1
            41   38  42 1
            42   39  43 1
            43   40  44 1
            44   40  45 1 #Down
            45   41  46 1
            46   42  47 1
            47   43  48 1 #Up
            48   44  49 1 #Down
            49   46  50 1
            50   47  51 1
            51   48  52 1
            52   48  53 1
            53   50  54 1
            54   51  55 1
            55   52  56 1
            56   52  57 2
            57   53  58 2
            58   54  59 1
            59   55  60 1
            60   56  61 1
            61   59  62 1
            62   60  63 1
            63   61  64 2
            64   62  65 1
            65   63  66 1
            66   65  67 1
            67    7  10 1
            68   43  44 1
            69   58  61 1
            70   16  68 1

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