KEGG   COMPOUND: C04824
Entry
C04824                      Compound                               
Name
Lipid X;
2,3-Diacylglucosamine 1-phosphate;
2,3-Bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate;
2,3-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate
Formula
C34H66NO12P
Exact mass
711.4323
Mol weight
711.8611
Structure
Reaction
Pathway
map00540  Lipopolysaccharide biosynthesis
map01100  Metabolic pathways
Module
M00060  KDO2-lipid A biosynthesis, Raetz pathway, LpxL-LpxM type
Enzyme
2.4.1.182       3.6.1.54
Brite
Lipids [BR:br08002]
 SL  Saccharolipids
  SL01 Acylaminosugars
   SL0102 Diacylaminosugars
    C04824  Lipid X
Other DBs
PubChem: 7385
ChEBI: 16942
LIPIDMAPS: LMSL01020001
PDB-CCD: LP5[PDBj]
3DMET: B04964
NIKKAJI: J2.754.713C
LinkDB
KCF data

ATOM        48
            1   C1y C    22.1444  -15.8703
            2   C1y C    20.9152  -16.5848
            3   C1y C    22.1444  -14.4545
            4   N1b N    23.3479  -16.5719
            5   C1y C    19.7052  -15.8703
            6   O7a O    20.9473  -18.1552
            7   O2x O    20.9152  -13.7531
            8   O2b O    23.3545  -13.7531
            9   C5a C    23.3479  -17.9685
            10  C1y C    19.7052  -14.4545
            11  O1a O    18.4889  -16.5656
            12  C7a C    20.9917  -19.3844
            13  P1b P    24.7511  -13.7466
            14  C1b C    24.5578  -18.6699
            15  O5a O    22.1380  -18.6764
            16  C1b C    18.4889  -13.7531
            17  C1b C    19.7052  -20.0860
            18  O6a O    22.2017  -20.0923
            19  O1c O    26.1476  -13.7466
            20  O1c O    24.7446  -12.3499
            21  O1c O    24.7511  -15.1495
            22  C1c C    25.7678  -17.9685
            23  C1c C    18.4953  -19.3844
            24  C1b C    26.9842  -18.6699
            25  O1a O    25.7678  -16.5719
            26  C1b C    17.2855  -20.0860
            27  O1a O    18.4953  -18.1982
            28  C1b C    28.1943  -17.9685
            29  C1b C    16.0689  -19.3844
            30  C1b C    29.4042  -18.6699
            31  C1b C    14.8591  -20.0860
            32  C1b C    30.6205  -17.9685
            33  C1b C    13.6427  -19.3844
            34  C1b C    31.8304  -18.6699
            35  C1b C    12.4328  -20.0860
            36  C1b C    33.0467  -17.9557
            37  C1b C    11.2099  -19.3781
            38  C1b C    33.0404  -16.5528
            39  C1b C    11.1971  -17.9749
            40  C1b C    31.8304  -15.8574
            41  C1b C    12.4071  -17.2669
            42  C1b C    31.8239  -14.4610
            43  C1b C    12.4071  -15.7868
            44  C1b C    30.6140  -13.7595
            45  C1b C    13.6105  -15.0724
            46  C1a C    30.6076  -12.3628
            47  C1a C    13.6042  -13.6758
            48  O1a O    17.2853  -14.4482
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    5  11 1 #Down
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14    9  15 2
            15   10  16 1 #Up
            16   12  17 1
            17   12  18 2
            18   13  19 1
            19   13  20 1
            20   13  21 2
            21   14  22 1
            22   17  23 1
            23   22  24 1
            24   22  25 1 #Down
            25   23  26 1
            26   23  27 1 #Up
            27   24  28 1
            28   26  29 1
            29   28  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34   33  35 1
            35   34  36 1
            36   35  37 1
            37   36  38 1
            38   37  39 1
            39   38  40 1
            40   39  41 1
            41   40  42 1
            42   41  43 1
            43   42  44 1
            44   43  45 1
            45   44  46 1
            46   45  47 1
            47    7  10 1
            48   16  48 1

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