COMPOUND: C04724
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Entry
C04724 Compound
Name
alpha-D-Mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol;
alpha-D-Man-(1->4)-alpha-L-Rha-(1->3)-alpha-D-Gal-PP-Und;
D-Mannosyl-L-rhamnosyl-D-galactose-1-diphospholipid
Formula
C73H122O21P2
Exact mass
1396.7954
Mol weight
1397.6847
Structure
Mol file
KCF file
DB search
Reaction
R04581
R08858
Enzyme
2.4.1.60
2.4.1.-
Brite
Lipids [BR:
br08002
]
PR Prenol lipids
PR03 Polyprenols
PR0303 Bactoprenol diphosphates
C04724 alpha-D-Mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-alpha-D-galactosyl-diphosphoundecaprenol
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Other DBs
PubChem:
7295
NIKKAJI:
J2.753.394I
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KCF data
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ATOM 96
1 C1a C 62.9893 -8.4819
2 C2c C 61.7437 -7.7865
3 C2b C 60.5038 -8.4819
4 C1a C 61.7437 -6.3888
5 C1b C 59.2472 -7.7796
6 C1b C 58.0062 -8.4749
7 C2c C 56.7679 -7.7796
8 C2b C 55.5208 -8.4749
9 C1a C 56.7679 -6.3819
10 C1b C 54.2764 -7.7708
11 C1b C 53.0353 -8.4731
12 C2c C 51.7969 -7.7708
13 C2b C 50.5499 -8.4731
14 C1a C 51.7969 -6.3802
15 C1b C 49.2986 -7.7691
16 C1b C 48.0692 -8.4756
17 C2c C 46.8364 -7.7831
18 C1a C 46.8364 -6.3843
19 C1b C 45.5898 -9.8731
20 C2b C 45.5898 -8.4756
21 C1b C 44.5526 -10.5424
22 C2c C 43.3129 -9.8501
23 C1a C 43.3129 -8.4512
24 C1b C 42.0733 -11.9399
25 C2b C 42.0733 -10.5424
26 C1b C 41.0360 -12.6165
27 C2c C 39.7964 -11.9170
28 C1a C 39.7964 -10.5182
29 C1b C 38.5569 -14.0140
30 C2b C 38.5569 -12.6165
31 C1b C 37.5126 -14.6904
32 C2c C 36.2799 -13.9911
33 C1a C 36.2799 -12.5994
34 C1b C 35.0331 -16.0809
35 C2b C 35.0331 -14.6904
36 C1b C 33.9888 -16.7575
37 C2c C 32.7560 -16.0579
38 C1a C 32.7560 -14.6661
39 C1b C 31.5236 -18.1550
40 C2b C 31.5236 -16.7575
41 C1b C 30.4793 -18.8314
42 C2c C 29.2465 -18.1320
43 C1a C 29.2465 -16.7331
44 C1b C 27.9998 -20.2289
45 C2b C 27.9998 -18.8314
46 C1b C 26.9557 -20.8984
47 C2c C 25.7229 -20.2060
48 C1a C 25.7229 -18.8072
49 C1b C 24.4763 -22.2959
50 C2b C 24.4763 -20.8984
51 C1b C 23.4461 -22.9724
52 C2c C 22.2065 -22.2729
53 C1a C 22.2065 -20.8811
54 C1b C 20.9668 -24.3630
55 C2b C 20.9668 -22.9724
56 O2b O 19.7459 -25.1808
57 P1b P 18.2800 -25.1854
58 O2c O 16.8208 -25.1854
59 O1c O 18.2800 -23.7113
60 O1c O 18.2800 -26.6453
61 P1b P 15.3488 -25.1854
62 O2b O 13.8839 -25.1854
63 O1c O 15.3488 -23.7113
64 O1c O 15.3488 -26.6453
65 C1y C 12.6706 -25.8859
66 O2x O 11.4808 -25.1994
67 C1y C 10.2677 -25.9004
68 C1y C 10.2681 -27.3014
69 C1y C 11.4579 -27.9878
70 C1y C 12.6710 -27.2869
71 C1b C 9.0544 -25.1998
72 O1a O 9.0548 -28.0019
73 O2a O 11.4579 -29.3888
74 O1a O 13.8843 -27.9875
75 O1a O 9.0544 -23.7988
76 C1y C 10.2446 -30.0893
77 O2x O 9.0357 -29.3915
78 C1y C 7.8224 -30.0921
79 C1y C 7.8225 -31.4931
80 C1y C 9.0314 -32.1909
81 C1y C 10.2447 -31.4903
82 C1a C 6.6092 -29.3916
83 O1a O 9.0314 -33.5919
84 O1a O 11.4580 -32.1908
85 O2a O 6.6093 -32.1936
86 C1y C 5.3960 -32.8941
87 O2x O 4.1969 -32.2022
88 C1y C 2.9838 -32.9029
89 C1y C 2.9841 -34.3039
90 C1y C 4.1830 -34.9959
91 C1y C 5.3962 -34.2951
92 C1b C 1.7705 -32.2024
93 O1a O 4.1830 -36.3969
94 O1a O 6.6096 -34.9956
95 O1a O 1.7708 -35.0044
96 O1a O 1.7705 -30.8014
BOND 98
1 15 16 1
2 5 6 1
3 17 18 1
4 6 7 1
5 32 31 1
6 34 35 1
7 35 32 2
8 34 36 1
9 7 8 2
10 37 38 1
11 7 9 1
12 8 10 1
13 17 16 1
14 19 20 1
15 37 36 1
16 39 40 1
17 40 37 2
18 39 41 1
19 20 17 2
20 42 43 1
21 19 21 1
22 3 5 1
23 22 23 1
24 42 41 1
25 44 45 1
26 45 42 2
27 44 46 1
28 47 48 1
29 1 2 1
30 2 3 2
31 22 21 1
32 24 25 1
33 47 46 1
34 49 50 1
35 50 47 2
36 49 51 1
37 25 22 2
38 52 53 1
39 24 26 1
40 10 11 1
41 27 28 1
42 11 12 1
43 52 51 1
44 54 55 1
45 55 52 2
46 54 56 1
47 12 13 2
48 12 14 1
49 13 15 1
50 27 26 1
51 29 30 1
52 30 27 2
53 29 31 1
54 2 4 1
55 32 33 1
56 56 57 1
57 57 58 1
58 57 59 1
59 57 60 2
60 58 61 1
61 61 62 1
62 61 63 1
63 61 64 2
64 65 62 1 #Down
65 65 66 1
66 66 67 1
67 67 68 1
68 68 69 1
69 69 70 1
70 65 70 1
71 67 71 1 #Up
72 68 72 1 #Up
73 69 73 1 #Up
74 70 74 1 #Down
75 71 75 1
76 76 73 1 #Up
77 76 77 1
78 77 78 1
79 78 79 1
80 79 80 1
81 80 81 1
82 76 81 1
83 78 82 1 #Down
84 80 83 1 #Down
85 81 84 1 #Down
86 79 85 1 #Up
87 86 85 1 #Down
88 86 87 1
89 87 88 1
90 88 89 1
91 89 90 1
92 90 91 1
93 86 91 1
94 88 92 1 #Up
95 90 93 1 #Up
96 91 94 1 #Up
97 89 95 1 #Down
98 92 96 1
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