Entry |
|
Name |
|
Formula |
C44H70O9
|
Exact mass |
742.502
|
Mol weight |
743.0212
|
Structure |
|
Sequence |
[1] 0 Mak 1 Mak 2 Mtd 3 Mte 4 Mtk 5 Mad 6 Mte 7 Mtk 8 Mae 9 Man [2] 0 Mak 1 Mak 2 Mad 3 Mtd 4 Mad 5 Mtd 6 Mtd 7 Man |
Gene |
|
Organism |
Mycobacterium ulcerans [GN: mul] |
Type |
PK |
Comment |
Mycolactone A (Z isomer at C-4')
Mycolactone B (E isomer at C-4')
The structure of mycolactone B is shown here.
|
Pathway |
|
Brite |
Lipids [BR:br08002]
PK Polyketides
PK04 Macrolides and lactone polyketides
C12151 Mycolactone
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 53
1 C1y C 11.3932 -18.6413
2 O7a O 11.3863 -20.0433
3 C7a C 12.5979 -20.7469
4 C2b C 13.8163 -20.0555
5 C1a C 13.8234 -18.6534
6 C1y C 12.6119 -17.9428
7 C1c C 7.7932 -13.7308
8 C1a C 6.5814 -14.4282
9 O6a O 6.5735 -15.8299
10 C7x C 7.7773 -16.5342
11 O7x O 8.9961 -15.8438
12 C1y C 9.0040 -14.4421
13 C1x C 7.7571 -17.9223
14 C1x C 8.9680 -18.6335
15 C1x C 10.1866 -17.9360
16 C1a C 10.1946 -16.5345
17 C2y C 11.4143 -15.8443
18 C1x C 12.6253 -16.5485
19 C1x C 10.2167 -13.7377
20 C2x C 11.4275 -14.4490
21 C1b C 7.8002 -12.3289
22 C2b C 10.2304 -12.3411
23 C2c C 9.0189 -11.6375
24 C2b C 15.0215 -20.7408
25 C2c C 16.2263 -20.0433
26 C2b C 17.4381 -20.7337
27 C2c C 18.6497 -20.0362
28 C2b C 19.8615 -20.7266
29 C2b C 21.0734 -20.0291
30 C2b C 22.2850 -20.7196
31 C2c C 23.4968 -20.0222
32 C2b C 24.7086 -20.7125
33 C1c C 25.9134 -20.0151
34 C1c C 27.1250 -20.7054
35 C1b C 28.3368 -20.0080
36 C1c C 29.5486 -20.6985
37 C1a C 30.7603 -20.0010
38 C1c C 11.4355 -11.6384
39 C1c C 12.6473 -12.3289
40 C1b C 13.8589 -11.6314
41 C1c C 15.0707 -12.3218
42 C1a C 16.2826 -11.6243
43 C1a C 9.0260 -10.2355
44 C1a C 11.4285 -10.2363
45 O1a O 12.6403 -13.7308
46 O1a O 15.0738 -13.7237
47 O6a O 12.5908 -22.1487
48 C1a C 16.2232 -18.6413
49 C1a C 18.6467 -18.6342
50 C1a C 23.4938 -18.6201
51 O1a O 27.1280 -22.1073
52 O1a O 29.5517 -22.1004
53 O1a O 25.9455 -18.5637
BOND 53
1 26 27 1
2 10 13 1
3 27 28 2
4 13 14 1
5 28 29 1
6 14 15 1
7 29 30 2
8 6 5 1 #Down
9 30 31 1
10 6 1 1
11 31 32 2
12 17 16 1
13 32 33 1
14 15 1 1
15 33 34 1
16 6 18 1
17 34 35 1
18 18 17 1
19 35 36 1
20 7 8 1 #Up
21 36 37 1
22 9 10 2
23 22 38 1
24 19 12 1
25 38 39 1
26 17 20 2
27 39 40 1
28 20 19 1
29 40 41 1
30 10 11 1
31 41 42 1
32 12 11 1 #Up
33 23 43 1
34 12 7 1
35 38 44 1 #Up
36 21 7 1
37 39 45 1 #Up
38 22 23 2
39 41 46 1 #Up
40 23 21 1
41 3 47 2
42 25 48 1
43 4 24 2
44 27 49 1
45 1 2 1 #Up
46 31 50 1
47 24 25 1
48 34 51 1 #Down
49 2 3 1
50 36 52 1 #Down
51 25 26 2
52 3 4 1
53 33 53 1 #Down
|