Showing NP-Card for Actinotetraose K (NP0011508)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-05 21:10:26 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:09:08 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0011508 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Actinotetraose K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Actinotetraose K is found in Amycolatopsis. Based on a literature review very few articles have been published on Actinotetraose K. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0011508 (Actinotetraose K)
Mrv1652307012121543D
150153 0 0 0 0 999 V2000
2.7964 3.4206 5.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 2.0583 4.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8038 1.2632 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9327 1.7599 5.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8351 -0.0334 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8549 -0.7778 4.5541 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8514 -0.6145 3.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -1.9126 3.0485 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8313 -2.3146 2.2158 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6218 -1.4817 1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -1.8468 0.3655 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5815 -1.8025 1.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.0710 0.8562 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8667 -1.7807 1.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7311 -2.2402 2.4845 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6786 -3.3020 2.8851 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0158 -2.9915 2.8349 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7360 -2.6671 1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2269 -2.6173 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1695 -2.3865 1.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0239 -2.0431 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7240 -2.4339 3.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1734 -2.1464 3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6801 -1.0513 3.4175 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4661 -1.5311 4.7051 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 -0.1422 3.0788 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6894 1.0030 3.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 0.2610 1.6222 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8893 1.1212 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1187 2.4544 1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7345 2.8324 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6112 4.2503 -0.2800 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6662 4.6838 -1.2769 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5018 4.1044 -2.5288 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 4.6317 -0.7567 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3857 5.6262 -0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 6.6391 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 6.5746 -1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 7.7149 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4301 8.6041 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 9.7451 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 7.8195 1.4626 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4611 7.9766 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5997 3.3303 -0.3993 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0202 2.3966 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 1.8848 -2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6476 2.2763 -2.7489 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 0.9428 -3.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 0.4205 -4.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 0.5277 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -0.4502 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2186 3.1248 1.0397 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1896 4.3587 1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 -3.2119 -0.2513 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1956 -3.5434 -1.3872 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0332 -3.9504 -2.4149 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1491 -2.9406 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3903 -3.0428 -4.0030 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6539 -2.0996 -5.1288 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7642 -2.2081 -6.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -4.4571 -4.4105 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7781 -4.9832 -3.6416 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9642 -5.3138 -4.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0966 -5.1425 -5.5403 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0833 -5.8649 -3.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8971 -6.0597 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2121 -6.1751 -4.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3590 -6.7393 -3.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -5.3354 -4.3904 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6380 -4.9965 -5.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -5.2242 -3.0820 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0000 -6.3796 -2.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 -4.1752 0.9107 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0817 -5.4595 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8985 -3.7503 1.8323 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8920 -4.5785 2.9568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 3.8015 5.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.3842 6.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 4.1378 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9012 1.7501 4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 1.8920 6.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7862 1.0689 5.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 2.7913 5.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 -2.6264 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 -2.0577 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -2.2193 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 -1.1711 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6915 -0.7596 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7014 -2.7427 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 -3.6642 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4911 -4.2691 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5450 -2.3695 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1712 -0.9474 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0043 -2.5869 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0946 -2.6949 4.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5031 -1.2887 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7758 -3.0425 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3698 -1.9458 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6141 -0.4758 3.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2422 -1.3537 5.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 -0.6515 3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.7516 4.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 0.7447 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 2.8034 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 4.7099 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7006 4.5478 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5905 5.7990 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3251 3.7489 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 4.7771 -1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 8.5233 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0988 9.2943 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5893 10.4012 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6647 10.3023 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2621 6.8913 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5149 8.6392 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3397 8.0798 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 7.0952 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 8.8460 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 3.5762 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 0.8023 -4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2257 -0.6674 -4.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 0.7787 -5.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 0.8526 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3659 0.0862 -4.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 -1.3785 -3.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1024 -0.7481 -3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 2.5390 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4426 4.2465 2.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9992 -3.2328 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -3.9944 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -2.7650 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6763 -2.3092 -5.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6987 -1.0383 -4.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 -1.4259 -6.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 -4.4170 -5.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3747 -5.2618 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 -6.0570 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3081 -7.0459 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3332 -6.0309 -5.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1574 -7.7726 -3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -6.1194 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2857 -6.5842 -3.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8182 -6.3742 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0222 -4.2607 -5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 -5.2942 -3.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 -7.0830 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 -4.1412 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9696 -5.4355 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 -3.9837 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2803 -4.1126 3.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
32 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
35 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 2 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
52 53 1 0 0 0 0
11 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
58 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 2 0 0 0 0
67 68 1 0 0 0 0
61 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
54 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
75 9 1 0 0 0 0
28 13 1 0 0 0 0
52 30 1 0 0 0 0
71 56 1 0 0 0 0
1 77 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
2 80 1 0 0 0 0
4 81 1 0 0 0 0
4 82 1 0 0 0 0
4 83 1 0 0 0 0
8 84 1 0 0 0 0
8 85 1 0 0 0 0
9 86 1 1 0 0 0
11 87 1 6 0 0 0
13 88 1 6 0 0 0
15 89 1 6 0 0 0
16 90 1 0 0 0 0
16 91 1 0 0 0 0
21 92 1 0 0 0 0
21 93 1 0 0 0 0
21 94 1 0 0 0 0
22 95 1 0 0 0 0
23 96 1 0 0 0 0
23 97 1 0 0 0 0
23 98 1 0 0 0 0
24 99 1 1 0 0 0
25100 1 0 0 0 0
26101 1 6 0 0 0
27102 1 0 0 0 0
28103 1 1 0 0 0
30104 1 1 0 0 0
32105 1 1 0 0 0
33106 1 0 0 0 0
33107 1 0 0 0 0
34108 1 0 0 0 0
35109 1 6 0 0 0
40110 1 0 0 0 0
41111 1 0 0 0 0
41112 1 0 0 0 0
41113 1 0 0 0 0
42114 1 0 0 0 0
42115 1 0 0 0 0
43116 1 0 0 0 0
43117 1 0 0 0 0
43118 1 0 0 0 0
44119 1 1 0 0 0
49120 1 0 0 0 0
49121 1 0 0 0 0
49122 1 0 0 0 0
50123 1 0 0 0 0
51124 1 0 0 0 0
51125 1 0 0 0 0
51126 1 0 0 0 0
52127 1 1 0 0 0
53128 1 0 0 0 0
54129 1 6 0 0 0
56130 1 1 0 0 0
58131 1 1 0 0 0
59132 1 0 0 0 0
59133 1 0 0 0 0
60134 1 0 0 0 0
61135 1 6 0 0 0
66136 1 0 0 0 0
66137 1 0 0 0 0
66138 1 0 0 0 0
67139 1 0 0 0 0
68140 1 0 0 0 0
68141 1 0 0 0 0
68142 1 0 0 0 0
69143 1 6 0 0 0
70144 1 0 0 0 0
71145 1 6 0 0 0
72146 1 0 0 0 0
73147 1 1 0 0 0
74148 1 0 0 0 0
75149 1 6 0 0 0
76150 1 0 0 0 0
M END
3D MOL for NP0011508 (Actinotetraose K)
RDKit 3D
150153 0 0 0 0 0 0 0 0999 V2000
2.7964 3.4206 5.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 2.0583 4.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8038 1.2632 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9327 1.7599 5.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8351 -0.0334 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8549 -0.7778 4.5541 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8514 -0.6145 3.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -1.9126 3.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8313 -2.3146 2.2158 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6218 -1.4817 1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -1.8468 0.3655 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5815 -1.8025 1.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.0710 0.8562 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8667 -1.7807 1.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7311 -2.2402 2.4845 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6786 -3.3020 2.8851 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0158 -2.9915 2.8349 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7360 -2.6671 1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2269 -2.6173 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1695 -2.3865 1.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0239 -2.0431 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7240 -2.4339 3.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1734 -2.1464 3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6801 -1.0513 3.4175 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4661 -1.5311 4.7051 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 -0.1422 3.0788 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6894 1.0030 3.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 0.2610 1.6222 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8893 1.1212 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1187 2.4544 1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7345 2.8324 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6112 4.2503 -0.2800 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6662 4.6838 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5018 4.1044 -2.5288 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 4.6317 -0.7567 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3857 5.6262 -0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 6.6391 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 6.5746 -1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 7.7149 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4301 8.6041 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 9.7451 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 7.8195 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 7.9766 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5997 3.3303 -0.3993 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0202 2.3966 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 1.8848 -2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6476 2.2763 -2.7489 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 0.9428 -3.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 0.4205 -4.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 0.5277 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -0.4502 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2186 3.1248 1.0397 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1896 4.3587 1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 -3.2119 -0.2513 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1956 -3.5434 -1.3872 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0332 -3.9504 -2.4149 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1491 -2.9406 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3903 -3.0428 -4.0030 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6539 -2.0996 -5.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7642 -2.2081 -6.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -4.4571 -4.4105 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7781 -4.9832 -3.6416 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9642 -5.3138 -4.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0966 -5.1425 -5.5403 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0833 -5.8649 -3.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8971 -6.0597 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2121 -6.1751 -4.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3590 -6.7393 -3.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -5.3354 -4.3904 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6380 -4.9965 -5.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -5.2242 -3.0820 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0000 -6.3796 -2.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 -4.1752 0.9107 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0817 -5.4595 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8985 -3.7503 1.8323 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8920 -4.5785 2.9568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 3.8015 5.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.3842 6.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 4.1378 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9012 1.7501 4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 1.8920 6.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7862 1.0689 5.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 2.7913 5.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 -2.6264 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 -2.0577 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -2.2193 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 -1.1711 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6915 -0.7596 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7014 -2.7427 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 -3.6642 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4911 -4.2691 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5450 -2.3695 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1712 -0.9474 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0043 -2.5869 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0946 -2.6949 4.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5031 -1.2887 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7758 -3.0425 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3698 -1.9458 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6141 -0.4758 3.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2422 -1.3537 5.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 -0.6515 3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.7516 4.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 0.7447 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 2.8034 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 4.7099 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7006 4.5478 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5905 5.7990 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3251 3.7489 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 4.7771 -1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 8.5233 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0988 9.2943 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5893 10.4012 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6647 10.3023 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2621 6.8913 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5149 8.6392 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3397 8.0798 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 7.0952 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 8.8460 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 3.5762 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 0.8023 -4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2257 -0.6674 -4.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 0.7787 -5.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 0.8526 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3659 0.0862 -4.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 -1.3785 -3.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1024 -0.7481 -3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 2.5390 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4426 4.2465 2.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9992 -3.2328 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -3.9944 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -2.7650 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6763 -2.3092 -5.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6987 -1.0383 -4.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 -1.4259 -6.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 -4.4170 -5.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3747 -5.2618 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 -6.0570 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3081 -7.0459 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3332 -6.0309 -5.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1574 -7.7726 -3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -6.1194 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2857 -6.5842 -3.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8182 -6.3742 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0222 -4.2607 -5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 -5.2942 -3.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 -7.0830 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 -4.1412 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9696 -5.4355 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 -3.9837 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2803 -4.1126 3.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
3 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
20 22 2 0
22 23 1 0
15 24 1 0
24 25 1 0
24 26 1 0
26 27 1 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
32 35 1 0
35 36 1 0
36 37 1 0
37 38 2 0
37 39 1 0
39 40 2 0
40 41 1 0
39 42 1 0
42 43 1 0
35 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
48 50 2 0
50 51 1 0
44 52 1 0
52 53 1 0
11 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
58 61 1 0
61 62 1 0
62 63 1 0
63 64 2 0
63 65 1 0
65 66 1 0
65 67 2 0
67 68 1 0
61 69 1 0
69 70 1 0
69 71 1 0
71 72 1 0
54 73 1 0
73 74 1 0
73 75 1 0
75 76 1 0
75 9 1 0
28 13 1 0
52 30 1 0
71 56 1 0
1 77 1 0
1 78 1 0
1 79 1 0
2 80 1 0
4 81 1 0
4 82 1 0
4 83 1 0
8 84 1 0
8 85 1 0
9 86 1 1
11 87 1 6
13 88 1 6
15 89 1 6
16 90 1 0
16 91 1 0
21 92 1 0
21 93 1 0
21 94 1 0
22 95 1 0
23 96 1 0
23 97 1 0
23 98 1 0
24 99 1 1
25100 1 0
26101 1 6
27102 1 0
28103 1 1
30104 1 1
32105 1 1
33106 1 0
33107 1 0
34108 1 0
35109 1 6
40110 1 0
41111 1 0
41112 1 0
41113 1 0
42114 1 0
42115 1 0
43116 1 0
43117 1 0
43118 1 0
44119 1 1
49120 1 0
49121 1 0
49122 1 0
50123 1 0
51124 1 0
51125 1 0
51126 1 0
52127 1 1
53128 1 0
54129 1 6
56130 1 1
58131 1 1
59132 1 0
59133 1 0
60134 1 0
61135 1 6
66136 1 0
66137 1 0
66138 1 0
67139 1 0
68140 1 0
68141 1 0
68142 1 0
69143 1 6
70144 1 0
71145 1 6
72146 1 0
73147 1 1
74148 1 0
75149 1 6
76150 1 0
M END
3D SDF for NP0011508 (Actinotetraose K)
Mrv1652307012121543D
150153 0 0 0 0 999 V2000
2.7964 3.4206 5.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 2.0583 4.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8038 1.2632 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9327 1.7599 5.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8351 -0.0334 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8549 -0.7778 4.5541 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8514 -0.6145 3.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -1.9126 3.0485 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8313 -2.3146 2.2158 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6218 -1.4817 1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -1.8468 0.3655 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5815 -1.8025 1.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.0710 0.8562 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8667 -1.7807 1.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7311 -2.2402 2.4845 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6786 -3.3020 2.8851 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0158 -2.9915 2.8349 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7360 -2.6671 1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2269 -2.6173 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1695 -2.3865 1.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0239 -2.0431 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7240 -2.4339 3.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1734 -2.1464 3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6801 -1.0513 3.4175 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4661 -1.5311 4.7051 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 -0.1422 3.0788 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6894 1.0030 3.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 0.2610 1.6222 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8893 1.1212 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1187 2.4544 1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7345 2.8324 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6112 4.2503 -0.2800 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6662 4.6838 -1.2769 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5018 4.1044 -2.5288 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 4.6317 -0.7567 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3857 5.6262 -0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 6.6391 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 6.5746 -1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 7.7149 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4301 8.6041 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 9.7451 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 7.8195 1.4626 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4611 7.9766 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5997 3.3303 -0.3993 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0202 2.3966 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 1.8848 -2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6476 2.2763 -2.7489 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 0.9428 -3.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 0.4205 -4.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 0.5277 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -0.4502 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2186 3.1248 1.0397 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1896 4.3587 1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 -3.2119 -0.2513 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1956 -3.5434 -1.3872 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0332 -3.9504 -2.4149 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1491 -2.9406 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3903 -3.0428 -4.0030 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6539 -2.0996 -5.1288 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7642 -2.2081 -6.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -4.4571 -4.4105 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7781 -4.9832 -3.6416 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9642 -5.3138 -4.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0966 -5.1425 -5.5403 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0833 -5.8649 -3.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8971 -6.0597 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2121 -6.1751 -4.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3590 -6.7393 -3.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -5.3354 -4.3904 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6380 -4.9965 -5.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -5.2242 -3.0820 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0000 -6.3796 -2.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 -4.1752 0.9107 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0817 -5.4595 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8985 -3.7503 1.8323 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8920 -4.5785 2.9568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 3.8015 5.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.3842 6.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 4.1378 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9012 1.7501 4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 1.8920 6.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7862 1.0689 5.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 2.7913 5.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 -2.6264 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 -2.0577 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -2.2193 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 -1.1711 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6915 -0.7596 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7014 -2.7427 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 -3.6642 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4911 -4.2691 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5450 -2.3695 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1712 -0.9474 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0043 -2.5869 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0946 -2.6949 4.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5031 -1.2887 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7758 -3.0425 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3698 -1.9458 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6141 -0.4758 3.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2422 -1.3537 5.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 -0.6515 3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.7516 4.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 0.7447 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 2.8034 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 4.7099 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7006 4.5478 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5905 5.7990 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3251 3.7489 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 4.7771 -1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 8.5233 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0988 9.2943 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5893 10.4012 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6647 10.3023 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2621 6.8913 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5149 8.6392 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3397 8.0798 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 7.0952 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 8.8460 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 3.5762 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 0.8023 -4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2257 -0.6674 -4.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 0.7787 -5.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 0.8526 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3659 0.0862 -4.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 -1.3785 -3.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1024 -0.7481 -3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 2.5390 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4426 4.2465 2.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9992 -3.2328 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -3.9944 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -2.7650 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6763 -2.3092 -5.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6987 -1.0383 -4.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 -1.4259 -6.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 -4.4170 -5.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3747 -5.2618 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 -6.0570 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3081 -7.0459 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3332 -6.0309 -5.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1574 -7.7726 -3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -6.1194 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2857 -6.5842 -3.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8182 -6.3742 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0222 -4.2607 -5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 -5.2942 -3.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 -7.0830 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 -4.1412 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9696 -5.4355 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 -3.9837 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2803 -4.1126 3.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
3 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
22 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
32 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
39 42 1 0 0 0 0
42 43 1 0 0 0 0
35 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 2 0 0 0 0
46 48 1 0 0 0 0
48 49 1 0 0 0 0
48 50 2 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
52 53 1 0 0 0 0
11 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
58 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 2 0 0 0 0
67 68 1 0 0 0 0
61 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
54 73 1 0 0 0 0
73 74 1 0 0 0 0
73 75 1 0 0 0 0
75 76 1 0 0 0 0
75 9 1 0 0 0 0
28 13 1 0 0 0 0
52 30 1 0 0 0 0
71 56 1 0 0 0 0
1 77 1 0 0 0 0
1 78 1 0 0 0 0
1 79 1 0 0 0 0
2 80 1 0 0 0 0
4 81 1 0 0 0 0
4 82 1 0 0 0 0
4 83 1 0 0 0 0
8 84 1 0 0 0 0
8 85 1 0 0 0 0
9 86 1 1 0 0 0
11 87 1 6 0 0 0
13 88 1 6 0 0 0
15 89 1 6 0 0 0
16 90 1 0 0 0 0
16 91 1 0 0 0 0
21 92 1 0 0 0 0
21 93 1 0 0 0 0
21 94 1 0 0 0 0
22 95 1 0 0 0 0
23 96 1 0 0 0 0
23 97 1 0 0 0 0
23 98 1 0 0 0 0
24 99 1 1 0 0 0
25100 1 0 0 0 0
26101 1 6 0 0 0
27102 1 0 0 0 0
28103 1 1 0 0 0
30104 1 1 0 0 0
32105 1 1 0 0 0
33106 1 0 0 0 0
33107 1 0 0 0 0
34108 1 0 0 0 0
35109 1 6 0 0 0
40110 1 0 0 0 0
41111 1 0 0 0 0
41112 1 0 0 0 0
41113 1 0 0 0 0
42114 1 0 0 0 0
42115 1 0 0 0 0
43116 1 0 0 0 0
43117 1 0 0 0 0
43118 1 0 0 0 0
44119 1 1 0 0 0
49120 1 0 0 0 0
49121 1 0 0 0 0
49122 1 0 0 0 0
50123 1 0 0 0 0
51124 1 0 0 0 0
51125 1 0 0 0 0
51126 1 0 0 0 0
52127 1 1 0 0 0
53128 1 0 0 0 0
54129 1 6 0 0 0
56130 1 1 0 0 0
58131 1 1 0 0 0
59132 1 0 0 0 0
59133 1 0 0 0 0
60134 1 0 0 0 0
61135 1 6 0 0 0
66136 1 0 0 0 0
66137 1 0 0 0 0
66138 1 0 0 0 0
67139 1 0 0 0 0
68140 1 0 0 0 0
68141 1 0 0 0 0
68142 1 0 0 0 0
69143 1 6 0 0 0
70144 1 0 0 0 0
71145 1 6 0 0 0
72146 1 0 0 0 0
73147 1 1 0 0 0
74148 1 0 0 0 0
75149 1 6 0 0 0
76150 1 0 0 0 0
M END
> <DATABASE_ID>
NP0011508
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])C([H])([H])[H])[C@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]3([H])O[H])O[C@]([H])(C([H])([H])OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C50H74O26/c1-11-21(7)42(60)65-19-28-30(53)32(55)40(74-47-35(58)34(57)37(26(17-51)67-47)71-44(62)23(9)13-3)49(69-28)76-50-41(33(56)31(54)29(70-50)20-66-43(61)22(8)12-2)75-48-36(59)39(73-45(63)24(10)14-4)38(27(18-52)68-48)72-46(64)25(15-5)16-6/h11-15,26-41,47-59H,16-20H2,1-10H3/b21-11+,22-12+,23-13+,24-14+,25-15+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,47+,48+,49-,50-/m1/s1
> <INCHI_KEY>
LRNGEJFMROVYOC-NUCVMEDXSA-N
> <FORMULA>
C50H74O26
> <MOLECULAR_WEIGHT>
1091.116
> <EXACT_MASS>
1090.446832503
> <JCHEM_ACCEPTOR_COUNT>
21
> <JCHEM_ATOM_COUNT>
150
> <JCHEM_AVERAGE_POLARIZABILITY>
110.94493426016818
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
9
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
[(2R,3S,4S,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-6-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6R)-5-{[(2E)-2-ethylbut-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-2-methylbut-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl (2E)-2-methylbut-2-enoate
> <ALOGPS_LOGP>
1.89
> <JCHEM_LOGP>
3.264208683333332
> <ALOGPS_LOGS>
-3.10
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
4
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.306237569545821
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.857575216611812
> <JCHEM_PKA_STRONGEST_BASIC>
-2.9818273849827035
> <JCHEM_POLAR_SURFACE_AREA>
378.18
> <JCHEM_REFRACTIVITY>
256.91330000000016
> <JCHEM_ROTATABLE_BOND_COUNT>
26
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
8.63e-01 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4S,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-6-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6R)-5-{[(2E)-2-ethylbut-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-2-methylbut-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl (2E)-2-methylbut-2-enoate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0011508 (Actinotetraose K)
RDKit 3D
150153 0 0 0 0 0 0 0 0999 V2000
2.7964 3.4206 5.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7672 2.0583 4.7643 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8038 1.2632 4.9448 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9327 1.7599 5.7646 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8351 -0.0334 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8549 -0.7778 4.5541 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8514 -0.6145 3.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0373 -1.9126 3.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8313 -2.3146 2.2158 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6218 -1.4817 1.1567 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4960 -1.8468 0.3655 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5815 -1.8025 1.1491 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7003 -1.0710 0.8562 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.8667 -1.7807 1.1789 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7311 -2.2402 2.4845 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6786 -3.3020 2.8851 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0158 -2.9915 2.8349 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7360 -2.6671 1.7204 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2269 -2.6173 0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1695 -2.3865 1.9547 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0239 -2.0431 0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.7240 -2.4339 3.1442 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1734 -2.1464 3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6801 -1.0513 3.4175 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4661 -1.5311 4.7051 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4757 -0.1422 3.0788 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6894 1.0030 3.8715 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7240 0.2610 1.6222 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8893 1.1212 1.0574 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1187 2.4544 1.0604 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7345 2.8324 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6112 4.2503 -0.2800 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.6662 4.6838 -1.2769 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5018 4.1044 -2.5288 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2528 4.6317 -0.7567 C 0 0 1 0 0 0 0 0 0 0 0 0
0.3857 5.6262 -0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 6.6391 -0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0814 6.5746 -1.9214 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7982 7.7149 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4301 8.6041 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1911 9.7451 -0.2001 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8215 7.8195 1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 7.9766 2.0795 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5997 3.3303 -0.3993 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0202 2.3966 -1.2630 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4930 1.8848 -2.4139 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6476 2.2763 -2.7489 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 0.9428 -3.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2423 0.4205 -4.5167 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4546 0.5277 -2.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1686 -0.4502 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2186 3.1248 1.0397 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1896 4.3587 1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8549 -3.2119 -0.2513 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1956 -3.5434 -1.3872 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0332 -3.9504 -2.4149 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1491 -2.9406 -3.3930 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3903 -3.0428 -4.0030 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6539 -2.0996 -5.1288 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7642 -2.2081 -6.1971 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -4.4571 -4.4105 C 0 0 1 0 0 0 0 0 0 0 0 0
3.7781 -4.9832 -3.6416 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9642 -5.3138 -4.2796 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0966 -5.1425 -5.5403 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0833 -5.8649 -3.5141 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8971 -6.0597 -2.0563 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2121 -6.1751 -4.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3590 -6.7393 -3.3336 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4864 -5.3354 -4.3904 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6380 -4.9965 -5.4742 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7106 -5.2242 -3.0820 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0000 -6.3796 -2.3722 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7412 -4.1752 0.9107 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0817 -5.4595 0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8985 -3.7503 1.8323 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8920 -4.5785 2.9568 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7781 3.8015 5.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2990 3.3842 6.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3536 4.1378 4.7554 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9012 1.7501 4.1658 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6413 1.8920 6.8373 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7862 1.0689 5.7818 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2288 2.7913 5.4333 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0322 -2.6264 3.9263 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9933 -2.0577 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9640 -2.2193 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4642 -1.1711 -0.4948 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6915 -0.7596 -0.1825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7014 -2.7427 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4546 -3.6642 3.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4911 -4.2691 2.3010 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5450 -2.3695 -0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1712 -0.9474 0.7602 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0043 -2.5869 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0946 -2.6949 4.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5031 -1.2887 2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7758 -3.0425 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.3698 -1.9458 4.4271 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6141 -0.4758 3.4071 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2422 -1.3537 5.3077 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5698 -0.6515 3.2774 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9819 0.7516 4.7851 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 0.7447 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8559 2.8034 1.8049 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8830 4.7099 0.6930 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7006 4.5478 -0.9025 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5905 5.7990 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3251 3.7489 -2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1493 4.7771 -1.8502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4139 8.5233 -1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0988 9.2943 0.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5893 10.4012 -0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6647 10.3023 0.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2621 6.8913 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5149 8.6392 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3397 8.0798 1.3105 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1559 7.0952 2.6937 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4780 8.8460 2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6283 3.5762 -0.6232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 0.8023 -4.7422 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2257 -0.6674 -4.5607 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4648 0.7787 -5.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9321 0.8526 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3659 0.0862 -4.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5801 -1.3785 -3.8644 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1024 -0.7481 -3.2095 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9997 2.5390 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4426 4.2465 2.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9992 -3.2328 -0.4432 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0622 -3.9944 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1363 -2.7650 -3.1990 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6763 -2.3092 -5.5498 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6987 -1.0383 -4.8077 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8782 -1.4259 -6.7898 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0527 -4.4170 -5.4674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3747 -5.2618 -1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8182 -6.0570 -1.8041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3081 -7.0459 -1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3332 -6.0309 -5.1838 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1574 -7.7726 -3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3679 -6.1194 -2.3918 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2857 -6.5842 -3.9017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8182 -6.3742 -4.5725 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0222 -4.2607 -5.2287 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3884 -5.2942 -3.3426 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3764 -7.0830 -2.9541 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2252 -4.1412 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9696 -5.4355 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8135 -3.9837 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2803 -4.1126 3.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
3 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
20 22 2 0
22 23 1 0
15 24 1 0
24 25 1 0
24 26 1 0
26 27 1 0
26 28 1 0
28 29 1 0
29 30 1 0
30 31 1 0
31 32 1 0
32 33 1 0
33 34 1 0
32 35 1 0
35 36 1 0
36 37 1 0
37 38 2 0
37 39 1 0
39 40 2 0
40 41 1 0
39 42 1 0
42 43 1 0
35 44 1 0
44 45 1 0
45 46 1 0
46 47 2 0
46 48 1 0
48 49 1 0
48 50 2 0
50 51 1 0
44 52 1 0
52 53 1 0
11 54 1 0
54 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
58 61 1 0
61 62 1 0
62 63 1 0
63 64 2 0
63 65 1 0
65 66 1 0
65 67 2 0
67 68 1 0
61 69 1 0
69 70 1 0
69 71 1 0
71 72 1 0
54 73 1 0
73 74 1 0
73 75 1 0
75 76 1 0
75 9 1 0
28 13 1 0
52 30 1 0
71 56 1 0
1 77 1 0
1 78 1 0
1 79 1 0
2 80 1 0
4 81 1 0
4 82 1 0
4 83 1 0
8 84 1 0
8 85 1 0
9 86 1 1
11 87 1 6
13 88 1 6
15 89 1 6
16 90 1 0
16 91 1 0
21 92 1 0
21 93 1 0
21 94 1 0
22 95 1 0
23 96 1 0
23 97 1 0
23 98 1 0
24 99 1 1
25100 1 0
26101 1 6
27102 1 0
28103 1 1
30104 1 1
32105 1 1
33106 1 0
33107 1 0
34108 1 0
35109 1 6
40110 1 0
41111 1 0
41112 1 0
41113 1 0
42114 1 0
42115 1 0
43116 1 0
43117 1 0
43118 1 0
44119 1 1
49120 1 0
49121 1 0
49122 1 0
50123 1 0
51124 1 0
51125 1 0
51126 1 0
52127 1 1
53128 1 0
54129 1 6
56130 1 1
58131 1 1
59132 1 0
59133 1 0
60134 1 0
61135 1 6
66136 1 0
66137 1 0
66138 1 0
67139 1 0
68140 1 0
68141 1 0
68142 1 0
69143 1 6
70144 1 0
71145 1 6
72146 1 0
73147 1 1
74148 1 0
75149 1 6
76150 1 0
M END
PDB for NP0011508 (Actinotetraose K)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 2.796 3.421 5.403 0.00 0.00 C+0 HETATM 2 C UNK 0 2.767 2.058 4.764 0.00 0.00 C+0 HETATM 3 C UNK 0 3.804 1.263 4.945 0.00 0.00 C+0 HETATM 4 C UNK 0 4.933 1.760 5.765 0.00 0.00 C+0 HETATM 5 C UNK 0 3.835 -0.033 4.356 0.00 0.00 C+0 HETATM 6 O UNK 0 4.855 -0.778 4.554 0.00 0.00 O+0 HETATM 7 O UNK 0 2.851 -0.615 3.558 0.00 0.00 O+0 HETATM 8 C UNK 0 3.037 -1.913 3.049 0.00 0.00 C+0 HETATM 9 C UNK 0 1.831 -2.315 2.216 0.00 0.00 C+0 HETATM 10 O UNK 0 1.622 -1.482 1.157 0.00 0.00 O+0 HETATM 11 C UNK 0 0.496 -1.847 0.366 0.00 0.00 C+0 HETATM 12 O UNK 0 -0.582 -1.803 1.149 0.00 0.00 O+0 HETATM 13 C UNK 0 -1.700 -1.071 0.856 0.00 0.00 C+0 HETATM 14 O UNK 0 -2.867 -1.781 1.179 0.00 0.00 O+0 HETATM 15 C UNK 0 -2.731 -2.240 2.485 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.679 -3.302 2.885 0.00 0.00 C+0 HETATM 17 O UNK 0 -5.016 -2.991 2.835 0.00 0.00 O+0 HETATM 18 C UNK 0 -5.736 -2.667 1.720 0.00 0.00 C+0 HETATM 19 O UNK 0 -5.227 -2.617 0.606 0.00 0.00 O+0 HETATM 20 C UNK 0 -7.170 -2.386 1.955 0.00 0.00 C+0 HETATM 21 C UNK 0 -8.024 -2.043 0.807 0.00 0.00 C+0 HETATM 22 C UNK 0 -7.724 -2.434 3.144 0.00 0.00 C+0 HETATM 23 C UNK 0 -9.173 -2.146 3.357 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.680 -1.051 3.418 0.00 0.00 C+0 HETATM 25 O UNK 0 -2.466 -1.531 4.705 0.00 0.00 O+0 HETATM 26 C UNK 0 -1.476 -0.142 3.079 0.00 0.00 C+0 HETATM 27 O UNK 0 -1.689 1.003 3.872 0.00 0.00 O+0 HETATM 28 C UNK 0 -1.724 0.261 1.622 0.00 0.00 C+0 HETATM 29 O UNK 0 -0.889 1.121 1.057 0.00 0.00 O+0 HETATM 30 C UNK 0 -1.119 2.454 1.060 0.00 0.00 C+0 HETATM 31 O UNK 0 -1.734 2.832 -0.181 0.00 0.00 O+0 HETATM 32 C UNK 0 -1.611 4.250 -0.280 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.666 4.684 -1.277 0.00 0.00 C+0 HETATM 34 O UNK 0 -2.502 4.104 -2.529 0.00 0.00 O+0 HETATM 35 C UNK 0 -0.253 4.632 -0.757 0.00 0.00 C+0 HETATM 36 O UNK 0 0.386 5.626 -0.003 0.00 0.00 O+0 HETATM 37 C UNK 0 1.088 6.639 -0.667 0.00 0.00 C+0 HETATM 38 O UNK 0 1.081 6.575 -1.921 0.00 0.00 O+0 HETATM 39 C UNK 0 1.798 7.715 -0.011 0.00 0.00 C+0 HETATM 40 C UNK 0 2.430 8.604 -0.748 0.00 0.00 C+0 HETATM 41 C UNK 0 3.191 9.745 -0.200 0.00 0.00 C+0 HETATM 42 C UNK 0 1.821 7.819 1.463 0.00 0.00 C+0 HETATM 43 C UNK 0 0.461 7.977 2.079 0.00 0.00 C+0 HETATM 44 C UNK 0 0.600 3.330 -0.399 0.00 0.00 C+0 HETATM 45 O UNK 0 -0.020 2.397 -1.263 0.00 0.00 O+0 HETATM 46 C UNK 0 0.493 1.885 -2.414 0.00 0.00 C+0 HETATM 47 O UNK 0 1.648 2.276 -2.749 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.266 0.943 -3.210 0.00 0.00 C+0 HETATM 49 C UNK 0 0.242 0.421 -4.517 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.455 0.528 -2.832 0.00 0.00 C+0 HETATM 51 C UNK 0 -2.169 -0.450 -3.723 0.00 0.00 C+0 HETATM 52 C UNK 0 0.219 3.125 1.040 0.00 0.00 C+0 HETATM 53 O UNK 0 0.190 4.359 1.726 0.00 0.00 O+0 HETATM 54 C UNK 0 0.855 -3.212 -0.251 0.00 0.00 C+0 HETATM 55 O UNK 0 0.196 -3.543 -1.387 0.00 0.00 O+0 HETATM 56 C UNK 0 1.033 -3.950 -2.415 0.00 0.00 C+0 HETATM 57 O UNK 0 1.149 -2.941 -3.393 0.00 0.00 O+0 HETATM 58 C UNK 0 2.390 -3.043 -4.003 0.00 0.00 C+0 HETATM 59 C UNK 0 2.654 -2.100 -5.129 0.00 0.00 C+0 HETATM 60 O UNK 0 1.764 -2.208 -6.197 0.00 0.00 O+0 HETATM 61 C UNK 0 2.721 -4.457 -4.410 0.00 0.00 C+0 HETATM 62 O UNK 0 3.778 -4.983 -3.642 0.00 0.00 O+0 HETATM 63 C UNK 0 4.964 -5.314 -4.280 0.00 0.00 C+0 HETATM 64 O UNK 0 5.097 -5.143 -5.540 0.00 0.00 O+0 HETATM 65 C UNK 0 6.083 -5.865 -3.514 0.00 0.00 C+0 HETATM 66 C UNK 0 5.897 -6.060 -2.056 0.00 0.00 C+0 HETATM 67 C UNK 0 7.212 -6.175 -4.124 0.00 0.00 C+0 HETATM 68 C UNK 0 8.359 -6.739 -3.334 0.00 0.00 C+0 HETATM 69 C UNK 0 1.486 -5.335 -4.390 0.00 0.00 C+0 HETATM 70 O UNK 0 0.638 -4.997 -5.474 0.00 0.00 O+0 HETATM 71 C UNK 0 0.711 -5.224 -3.082 0.00 0.00 C+0 HETATM 72 O UNK 0 1.000 -6.380 -2.372 0.00 0.00 O+0 HETATM 73 C UNK 0 0.741 -4.175 0.911 0.00 0.00 C+0 HETATM 74 O UNK 0 1.082 -5.460 0.484 0.00 0.00 O+0 HETATM 75 C UNK 0 1.899 -3.750 1.832 0.00 0.00 C+0 HETATM 76 O UNK 0 1.892 -4.579 2.957 0.00 0.00 O+0 HETATM 77 H UNK 0 1.778 3.801 5.559 0.00 0.00 H+0 HETATM 78 H UNK 0 3.299 3.384 6.372 0.00 0.00 H+0 HETATM 79 H UNK 0 3.354 4.138 4.755 0.00 0.00 H+0 HETATM 80 H UNK 0 1.901 1.750 4.166 0.00 0.00 H+0 HETATM 81 H UNK 0 4.641 1.892 6.837 0.00 0.00 H+0 HETATM 82 H UNK 0 5.786 1.069 5.782 0.00 0.00 H+0 HETATM 83 H UNK 0 5.229 2.791 5.433 0.00 0.00 H+0 HETATM 84 H UNK 0 3.032 -2.626 3.926 0.00 0.00 H+0 HETATM 85 H UNK 0 3.993 -2.058 2.541 0.00 0.00 H+0 HETATM 86 H UNK 0 0.964 -2.219 2.920 0.00 0.00 H+0 HETATM 87 H UNK 0 0.464 -1.171 -0.495 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.692 -0.760 -0.183 0.00 0.00 H+0 HETATM 89 H UNK 0 -1.701 -2.743 2.481 0.00 0.00 H+0 HETATM 90 H UNK 0 -3.455 -3.664 3.947 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.491 -4.269 2.301 0.00 0.00 H+0 HETATM 92 H UNK 0 -7.545 -2.369 -0.155 0.00 0.00 H+0 HETATM 93 H UNK 0 -8.171 -0.947 0.760 0.00 0.00 H+0 HETATM 94 H UNK 0 -9.004 -2.587 0.872 0.00 0.00 H+0 HETATM 95 H UNK 0 -7.095 -2.695 4.005 0.00 0.00 H+0 HETATM 96 H UNK 0 -9.503 -1.289 2.770 0.00 0.00 H+0 HETATM 97 H UNK 0 -9.776 -3.042 3.099 0.00 0.00 H+0 HETATM 98 H UNK 0 -9.370 -1.946 4.427 0.00 0.00 H+0 HETATM 99 H UNK 0 -3.614 -0.476 3.407 0.00 0.00 H+0 HETATM 100 H UNK 0 -3.242 -1.354 5.308 0.00 0.00 H+0 HETATM 101 H UNK 0 -0.570 -0.652 3.277 0.00 0.00 H+0 HETATM 102 H UNK 0 -1.982 0.752 4.785 0.00 0.00 H+0 HETATM 103 H UNK 0 -2.725 0.745 1.720 0.00 0.00 H+0 HETATM 104 H UNK 0 -1.856 2.803 1.805 0.00 0.00 H+0 HETATM 105 H UNK 0 -1.883 4.710 0.693 0.00 0.00 H+0 HETATM 106 H UNK 0 -3.701 4.548 -0.903 0.00 0.00 H+0 HETATM 107 H UNK 0 -2.591 5.799 -1.463 0.00 0.00 H+0 HETATM 108 H UNK 0 -3.325 3.749 -2.893 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.149 4.777 -1.850 0.00 0.00 H+0 HETATM 110 H UNK 0 2.414 8.523 -1.851 0.00 0.00 H+0 HETATM 111 H UNK 0 4.099 9.294 0.301 0.00 0.00 H+0 HETATM 112 H UNK 0 3.589 10.401 -0.989 0.00 0.00 H+0 HETATM 113 H UNK 0 2.665 10.302 0.604 0.00 0.00 H+0 HETATM 114 H UNK 0 2.262 6.891 1.932 0.00 0.00 H+0 HETATM 115 H UNK 0 2.515 8.639 1.805 0.00 0.00 H+0 HETATM 116 H UNK 0 -0.340 8.080 1.311 0.00 0.00 H+0 HETATM 117 H UNK 0 0.156 7.095 2.694 0.00 0.00 H+0 HETATM 118 H UNK 0 0.478 8.846 2.763 0.00 0.00 H+0 HETATM 119 H UNK 0 1.628 3.576 -0.623 0.00 0.00 H+0 HETATM 120 H UNK 0 1.231 0.802 -4.742 0.00 0.00 H+0 HETATM 121 H UNK 0 0.226 -0.667 -4.561 0.00 0.00 H+0 HETATM 122 H UNK 0 -0.465 0.779 -5.304 0.00 0.00 H+0 HETATM 123 H UNK 0 -1.932 0.853 -1.924 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.366 0.086 -4.672 0.00 0.00 H+0 HETATM 125 H UNK 0 -1.580 -1.379 -3.864 0.00 0.00 H+0 HETATM 126 H UNK 0 -3.102 -0.748 -3.209 0.00 0.00 H+0 HETATM 127 H UNK 0 1.000 2.539 1.579 0.00 0.00 H+0 HETATM 128 H UNK 0 0.443 4.247 2.657 0.00 0.00 H+0 HETATM 129 H UNK 0 1.999 -3.233 -0.443 0.00 0.00 H+0 HETATM 130 H UNK 0 2.062 -3.994 -1.959 0.00 0.00 H+0 HETATM 131 H UNK 0 3.136 -2.765 -3.199 0.00 0.00 H+0 HETATM 132 H UNK 0 3.676 -2.309 -5.550 0.00 0.00 H+0 HETATM 133 H UNK 0 2.699 -1.038 -4.808 0.00 0.00 H+0 HETATM 134 H UNK 0 1.878 -1.426 -6.790 0.00 0.00 H+0 HETATM 135 H UNK 0 3.053 -4.417 -5.467 0.00 0.00 H+0 HETATM 136 H UNK 0 6.375 -5.262 -1.456 0.00 0.00 H+0 HETATM 137 H UNK 0 4.818 -6.057 -1.804 0.00 0.00 H+0 HETATM 138 H UNK 0 6.308 -7.046 -1.744 0.00 0.00 H+0 HETATM 139 H UNK 0 7.333 -6.031 -5.184 0.00 0.00 H+0 HETATM 140 H UNK 0 8.157 -7.773 -3.028 0.00 0.00 H+0 HETATM 141 H UNK 0 8.368 -6.119 -2.392 0.00 0.00 H+0 HETATM 142 H UNK 0 9.286 -6.584 -3.902 0.00 0.00 H+0 HETATM 143 H UNK 0 1.818 -6.374 -4.572 0.00 0.00 H+0 HETATM 144 H UNK 0 0.022 -4.261 -5.229 0.00 0.00 H+0 HETATM 145 H UNK 0 -0.388 -5.294 -3.343 0.00 0.00 H+0 HETATM 146 H UNK 0 1.376 -7.083 -2.954 0.00 0.00 H+0 HETATM 147 H UNK 0 -0.225 -4.141 1.407 0.00 0.00 H+0 HETATM 148 H UNK 0 1.970 -5.436 0.083 0.00 0.00 H+0 HETATM 149 H UNK 0 2.813 -3.984 1.246 0.00 0.00 H+0 HETATM 150 H UNK 0 1.280 -4.113 3.612 0.00 0.00 H+0 CONECT 1 2 77 78 79 CONECT 2 1 3 80 CONECT 3 2 4 5 CONECT 4 3 81 82 83 CONECT 5 3 6 7 CONECT 6 5 CONECT 7 5 8 CONECT 8 7 9 84 85 CONECT 9 8 10 75 86 CONECT 10 9 11 CONECT 11 10 12 54 87 CONECT 12 11 13 CONECT 13 12 14 28 88 CONECT 14 13 15 CONECT 15 14 16 24 89 CONECT 16 15 17 90 91 CONECT 17 16 18 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 CONECT 21 20 92 93 94 CONECT 22 20 23 95 CONECT 23 22 96 97 98 CONECT 24 15 25 26 99 CONECT 25 24 100 CONECT 26 24 27 28 101 CONECT 27 26 102 CONECT 28 26 29 13 103 CONECT 29 28 30 CONECT 30 29 31 52 104 CONECT 31 30 32 CONECT 32 31 33 35 105 CONECT 33 32 34 106 107 CONECT 34 33 108 CONECT 35 32 36 44 109 CONECT 36 35 37 CONECT 37 36 38 39 CONECT 38 37 CONECT 39 37 40 42 CONECT 40 39 41 110 CONECT 41 40 111 112 113 CONECT 42 39 43 114 115 CONECT 43 42 116 117 118 CONECT 44 35 45 52 119 CONECT 45 44 46 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 50 CONECT 49 48 120 121 122 CONECT 50 48 51 123 CONECT 51 50 124 125 126 CONECT 52 44 53 30 127 CONECT 53 52 128 CONECT 54 11 55 73 129 CONECT 55 54 56 CONECT 56 55 57 71 130 CONECT 57 56 58 CONECT 58 57 59 61 131 CONECT 59 58 60 132 133 CONECT 60 59 134 CONECT 61 58 62 69 135 CONECT 62 61 63 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 67 CONECT 66 65 136 137 138 CONECT 67 65 68 139 CONECT 68 67 140 141 142 CONECT 69 61 70 71 143 CONECT 70 69 144 CONECT 71 69 72 56 145 CONECT 72 71 146 CONECT 73 54 74 75 147 CONECT 74 73 148 CONECT 75 73 76 9 149 CONECT 76 75 150 CONECT 77 1 CONECT 78 1 CONECT 79 1 CONECT 80 2 CONECT 81 4 CONECT 82 4 CONECT 83 4 CONECT 84 8 CONECT 85 8 CONECT 86 9 CONECT 87 11 CONECT 88 13 CONECT 89 15 CONECT 90 16 CONECT 91 16 CONECT 92 21 CONECT 93 21 CONECT 94 21 CONECT 95 22 CONECT 96 23 CONECT 97 23 CONECT 98 23 CONECT 99 24 CONECT 100 25 CONECT 101 26 CONECT 102 27 CONECT 103 28 CONECT 104 30 CONECT 105 32 CONECT 106 33 CONECT 107 33 CONECT 108 34 CONECT 109 35 CONECT 110 40 CONECT 111 41 CONECT 112 41 CONECT 113 41 CONECT 114 42 CONECT 115 42 CONECT 116 43 CONECT 117 43 CONECT 118 43 CONECT 119 44 CONECT 120 49 CONECT 121 49 CONECT 122 49 CONECT 123 50 CONECT 124 51 CONECT 125 51 CONECT 126 51 CONECT 127 52 CONECT 128 53 CONECT 129 54 CONECT 130 56 CONECT 131 58 CONECT 132 59 CONECT 133 59 CONECT 134 60 CONECT 135 61 CONECT 136 66 CONECT 137 66 CONECT 138 66 CONECT 139 67 CONECT 140 68 CONECT 141 68 CONECT 142 68 CONECT 143 69 CONECT 144 70 CONECT 145 71 CONECT 146 72 CONECT 147 73 CONECT 148 74 CONECT 149 75 CONECT 150 76 MASTER 0 0 0 0 0 0 0 0 150 0 306 0 END SMILES for NP0011508 (Actinotetraose K)[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])C([H])([H])[H])[C@]([H])(OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]3([H])O[H])O[C@]([H])(C([H])([H])OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])OC(=O)C(=C(/[H])C([H])([H])[H])\C([H])([H])[H] INCHI for NP0011508 (Actinotetraose K)InChI=1S/C50H74O26/c1-11-21(7)42(60)65-19-28-30(53)32(55)40(74-47-35(58)34(57)37(26(17-51)67-47)71-44(62)23(9)13-3)49(69-28)76-50-41(33(56)31(54)29(70-50)20-66-43(61)22(8)12-2)75-48-36(59)39(73-45(63)24(10)14-4)38(27(18-52)68-48)72-46(64)25(15-5)16-6/h11-15,26-41,47-59H,16-20H2,1-10H3/b21-11+,22-12+,23-13+,24-14+,25-15+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,47+,48+,49-,50-/m1/s1 3D Structure for NP0011508 (Actinotetraose K) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C50H74O26 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1091.1160 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1090.44683 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | [(2R,3S,4S,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-6-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6R)-5-{[(2E)-2-ethylbut-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-2-methylbut-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl (2E)-2-methylbut-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(2R,3S,4S,5R,6R)-5-{[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-6-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4R,5R,6R)-5-{[(2E)-2-ethylbut-2-enoyl]oxy}-3-hydroxy-6-(hydroxymethyl)-4-{[(2E)-2-methylbut-2-enoyl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2E)-2-methylbut-2-enoyl]oxy}methyl)oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]methyl (2E)-2-methylbut-2-enoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC\C(=C/C)C(=O)O[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(=O)C(\C)=C\C)O[C@@H]2O[C@H]2O[C@H](COC(=O)C(\C)=C\C)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](OC(=O)C(\C)=C\C)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)C(\C)=C\C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C50H74O26/c1-11-21(7)42(60)65-19-28-30(53)32(55)40(74-47-35(58)34(57)37(26(17-51)67-47)71-44(62)23(9)13-3)49(69-28)76-50-41(33(56)31(54)29(70-50)20-66-43(61)22(8)12-2)75-48-36(59)39(73-45(63)24(10)14-4)38(27(18-52)68-48)72-46(64)25(15-5)16-6/h11-15,26-41,47-59H,16-20H2,1-10H3/b21-11+,22-12+,23-13+,24-14+,25-15+/t26-,27-,28-,29-,30-,31-,32+,33+,34-,35-,36-,37-,38-,39-,40-,41-,47+,48+,49-,50-/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | LRNGEJFMROVYOC-NUCVMEDXSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA007790 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78441007 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139585270 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
