Entry |
|
Name |
Trehalose dimycolate;
Trehalose-6,6'-dimycolate;
TDM;
Cord factor
|
Formula |
C176H338O15
|
Exact mass |
2692.5686
|
Mol weight |
2694.5579
|
Structure |

|
Comment |
Structure of trehalose dimycolate (alpha-mycolate) from M. tuberculosis.
|
Pathway |
map04625 | C-type lectin receptor signaling pathway |
|
Brite |
Lipids [BR:br08002]
SL Saccharolipids
SL03 Acyltrehaloses
C21790 Trehalose dimycolate
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 191
1 C1c C 19.6251 -18.3858
2 C1b C 20.8182 -17.6839
3 C1b C 22.0113 -18.3858
4 C1b C 23.2746 -17.6839
5 C1b C 24.4676 -18.3858
6 C1b C 25.6607 -17.6839
7 C1b C 26.8538 -18.3858
8 C1b C 28.1171 -17.6839
9 C1b C 29.3102 -18.3858
10 C1b C 30.5033 -17.6839
11 C1b C 31.6964 -18.3858
12 C1b C 32.9596 -17.6839
13 C1b C 34.1528 -18.3858
14 C1b C 35.3459 -17.6839
15 C1b C 36.5390 -18.3858
16 C1b C 37.8023 -17.6839
17 C1b C 1.7288 -14.9469
18 C1y C 8.8873 -19.0876
19 O2a O 10.0805 -18.3858
20 O2x O 7.6942 -18.3858
21 C1y C 8.8873 -20.4211
22 C1y C 11.2735 -17.6839
23 C1y C 6.5011 -19.0876
24 C1y C 7.6942 -21.1229
25 O1a O 10.0805 -21.1229
26 O2x O 12.4666 -18.3858
27 C1y C 11.2735 -16.2804
28 C1y C 6.5011 -20.4211
29 C1b C 5.3080 -18.3858
30 O1a O 7.6942 -22.8073
31 C1y C 13.6597 -17.6839
32 C1y C 12.4666 -15.6487
33 O1a O 10.0805 -15.6487
34 O1a O 5.3080 -21.1229
35 O7a O 5.3080 -16.9822
36 C1y C 13.6597 -16.2804
37 C1b C 14.8528 -18.3858
38 O1a O 12.4666 -14.2451
39 C7a C 5.3080 -15.6487
40 O1a O 15.1335 -15.4382
41 O7a O 16.0459 -17.6839
42 C1c C 4.1149 -14.9469
43 O6a O 6.5011 -14.9469
44 C7a C 17.2389 -18.3858
45 C1c C 2.9219 -15.6487
46 C1b C 4.1149 -13.5433
47 C1c C 18.4320 -17.6839
48 O6a O 17.2389 -19.7192
49 O1a O 2.9219 -16.9822
50 C1b C 18.4320 -16.2804
51 O1a O 19.6251 -19.7192
52 C1b C 38.9953 -18.3858
53 C1b C 40.2586 -17.6839
54 C1y C 41.4517 -18.3858
55 C1y C 42.8553 -18.3858
56 C1b C 44.0484 -17.6839
57 C1b C 45.3116 -18.3858
58 C1b C 46.5047 -17.6839
59 C1b C 47.6978 -18.3858
60 C1b C 48.9611 -17.6839
61 C1b C 50.1542 -18.3858
62 C1b C 51.3473 -17.6839
63 C1x C 42.1535 -19.5789
64 C1b C 52.5403 -18.3858
65 C1b C 53.8036 -17.6839
66 C1b C 54.9967 -18.3858
67 C1b C 56.1898 -17.6839
68 C1b C 19.6251 -15.5786
69 C1b C 20.8182 -16.2804
70 C1b C 22.0815 -15.5786
71 C1b C 23.2746 -16.2804
72 C1b C 24.4676 -15.5786
73 C1b C 25.7309 -16.2804
74 C1b C 26.9240 -15.5786
75 C1b C 28.1171 -16.2804
76 C1b C 29.3804 -15.5786
77 C1b C 30.5735 -16.2804
78 C1b C 31.7665 -15.5786
79 C1b C 33.0298 -16.2804
80 C1b C 34.2229 -15.5786
81 C1b C 35.4160 -16.2804
82 C1b C 36.6092 -15.5786
83 C1b C 37.8723 -16.2804
84 C1b C 39.0654 -15.5786
85 C1b C 40.2586 -16.2804
86 C1b C 41.5218 -15.5786
87 C1b C 42.7150 -16.2804
88 C1b C 43.9081 -15.5786
89 C1b C 45.1011 -16.2804
90 C1b C 57.3830 -18.3858
91 C1b C 58.5760 -17.6839
92 C1b C 59.7691 -18.3858
93 C1y C 60.9622 -17.6839
94 C1y C 62.3658 -17.6839
95 C1b C 63.5589 -18.3858
96 C1b C 64.8222 -17.6839
97 C1b C 66.0152 -18.3858
98 C1b C 67.2083 -17.6839
99 C1b C 68.4716 -18.3858
100 C1b C 69.6647 -17.6839
101 C1b C 70.8579 -18.3858
102 C1b C 72.1211 -17.6839
103 C1b C 73.3141 -18.3858
104 C1b C 74.5073 -17.6839
105 C1b C 75.7705 -18.3858
106 C1x C 61.6640 -16.4909
107 C1b C 76.9637 -17.6839
108 C1b C 78.2269 -18.3858
109 C1b C 79.4200 -17.6839
110 C1b C 80.6131 -18.3858
111 C1b C 81.8763 -17.6839
112 C1b C 83.0695 -18.3858
113 C1a C 84.2626 -17.6839
114 C1b C 1.7288 -13.5433
115 C1b C 2.9219 -12.8414
116 C1b C 2.9219 -11.4378
117 C1b C 5.3080 -12.8414
118 C1b C 6.5713 -13.5433
119 C1b C 7.7644 -12.8414
120 C1b C 8.9575 -13.5433
121 C1b C 10.2208 -12.8414
122 C1b C 11.4138 -13.5433
123 C1b C 12.6069 -12.8414
124 C1b C 13.8702 -13.5433
125 C1b C 15.0633 -12.8414
126 C1b C 16.2564 -13.5433
127 C1b C 17.5196 -12.8414
128 C1b C 18.7127 -13.5433
129 C1b C 19.9058 -12.8414
130 C1b C 21.0990 -13.5433
131 C1b C 22.3622 -12.8414
132 C1b C 23.5554 -13.5433
133 C1b C 24.7484 -12.8414
134 C1b C 26.0116 -13.5433
135 C1b C 27.2048 -12.8414
136 C1b C 28.3979 -13.5433
137 C1b C 29.6612 -12.8414
138 C1b C 30.8543 -13.5433
139 C1b C 28.6786 -11.4378
140 C1b C 29.8717 -10.7359
141 C1b C 31.0647 -11.4378
142 C1b C 32.3982 -10.7359
143 C1b C 33.5913 -11.4378
144 C1b C 34.7844 -10.7359
145 C1b C 35.9775 -11.4378
146 C1b C 37.1706 -10.7359
147 C1b C 38.3636 -11.4378
148 C1y C 39.5567 -10.7359
149 C1y C 40.9604 -10.7359
150 C1b C 42.1535 -11.4378
151 C1b C 43.4168 -10.7359
152 C1b C 44.6099 -11.4378
153 C1b C 45.8029 -10.7359
154 C1b C 47.0662 -11.4378
155 C1b C 48.2593 -10.7359
156 C1b C 49.4524 -11.4378
157 C1b C 50.7157 -10.7359
158 C1b C 51.9789 -11.4378
159 C1b C 53.1720 -10.7359
160 C1b C 54.4353 -11.4378
161 C1x C 40.2586 -9.5429
162 C1b C 55.6284 -10.7359
163 C1b C 56.8917 -11.4378
164 C1b C 58.0848 -10.7359
165 C1b C 59.2778 -11.4378
166 C1b C 60.5411 -10.7359
167 C1b C 61.7342 -11.4378
168 C1a C 62.9273 -10.7359
169 C1b C 4.1149 -10.7359
170 C1b C 5.3080 -11.4378
171 C1b C 6.5713 -10.7359
172 C1b C 7.7644 -11.4378
173 C1b C 8.9575 -10.7359
174 C1b C 10.1506 -11.4378
175 C1b C 11.4840 -10.7359
176 C1b C 12.6771 -11.4378
177 C1b C 13.8702 -10.7359
178 C1b C 15.0633 -11.4378
179 C1b C 16.3266 -10.7359
180 C1b C 17.5196 -11.4378
181 C1b C 18.7829 -10.7359
182 C1y C 19.9760 -11.4378
183 C1y C 21.3797 -11.4378
184 C1b C 22.5728 -10.7359
185 C1b C 23.8361 -11.4378
186 C1b C 25.0291 -10.7359
187 C1b C 26.2222 -11.4378
188 C1x C 20.6779 -12.6309
189 C1b C 27.4855 -10.7359
190 C1a C 46.2906 -15.6068
191 C1a C 32.0987 -12.8389
BOND 196
1 1 2 1
2 12 13 1
3 6 7 1
4 13 14 1
5 3 4 1
6 14 15 1
7 7 8 1
8 15 16 1
9 8 9 1
10 4 5 1
11 9 10 1
12 2 3 1
13 10 11 1
14 5 6 1
15 11 12 1
16 18 19 1 #Down
17 18 20 1
18 18 21 1
19 22 19 1 #Down
20 20 23 1
21 21 24 1
22 21 25 1 #Down
23 22 26 1
24 22 27 1
25 23 28 1
26 23 29 1 #Up
27 24 30 1 #Up
28 26 31 1
29 27 32 1
30 27 33 1 #Down
31 28 34 1 #Down
32 29 35 1
33 31 36 1
34 31 37 1 #Up
35 32 38 1 #Up
36 35 39 1
37 36 40 1 #Down
38 37 41 1
39 39 42 1
40 39 43 2
41 41 44 1
42 42 45 1
43 42 46 1
44 44 47 1
45 44 48 2
46 45 49 1
47 47 1 1
48 47 50 1
49 1 51 1
50 24 28 1
51 32 36 1
52 45 17 1
53 16 52 1
54 52 53 1
55 53 54 1
56 54 55 1
57 55 56 1
58 56 57 1
59 57 58 1
60 58 59 1
61 59 60 1
62 60 61 1
63 61 62 1
64 54 63 1
65 55 63 1
66 62 64 1
67 64 65 1
68 65 66 1
69 66 67 1
70 50 68 1
71 68 69 1
72 69 70 1
73 70 71 1
74 71 72 1
75 72 73 1
76 73 74 1
77 74 75 1
78 75 76 1
79 76 77 1
80 77 78 1
81 78 79 1
82 79 80 1
83 80 81 1
84 81 82 1
85 82 83 1
86 83 84 1
87 84 85 1
88 85 86 1
89 86 87 1
90 87 88 1
91 88 89 1
92 67 90 1
93 90 91 1
94 91 92 1
95 92 93 1
96 93 94 1
97 94 95 1
98 95 96 1
99 96 97 1
100 97 98 1
101 98 99 1
102 99 100 1
103 100 101 1
104 101 102 1
105 102 103 1
106 103 104 1
107 104 105 1
108 93 106 1
109 106 94 1
110 105 107 1
111 107 108 1
112 108 109 1
113 109 110 1
114 110 111 1
115 111 112 1
116 112 113 1
117 17 114 1
118 114 115 1
119 115 116 1
120 46 117 1
121 117 118 1
122 118 119 1
123 119 120 1
124 120 121 1
125 121 122 1
126 122 123 1
127 123 124 1
128 124 125 1
129 125 126 1
130 126 127 1
131 127 128 1
132 128 129 1
133 129 130 1
134 130 131 1
135 131 132 1
136 132 133 1
137 133 134 1
138 134 135 1
139 135 136 1
140 136 137 1
141 137 138 1
142 175 176 1
143 169 170 1
144 176 177 1
145 177 178 1
146 170 171 1
147 178 179 1
148 171 172 1
149 172 173 1
150 173 174 1
151 116 169 1
152 174 175 1
153 179 180 1
154 180 181 1
155 181 182 1
156 182 183 1
157 183 184 1
158 184 185 1
159 185 186 1
160 186 187 1
161 139 140 1
162 182 188 1
163 183 188 1
164 140 141 1
165 141 142 1
166 142 143 1
167 143 144 1
168 144 145 1
169 145 146 1
170 146 147 1
171 147 148 1
172 148 149 1
173 149 150 1
174 150 151 1
175 151 152 1
176 152 153 1
177 153 154 1
178 154 155 1
179 155 156 1
180 156 157 1
181 157 158 1
182 158 159 1
183 159 160 1
184 148 161 1
185 161 149 1
186 160 162 1
187 162 163 1
188 163 164 1
189 164 165 1
190 165 166 1
191 166 167 1
192 167 168 1
193 187 189 1
194 189 139 1
195 89 190 1
196 138 191 1
|