Showing NP-Card for FW05328-1 (NP0016897)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 01:45:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:23:59 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0016897 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | FW05328-1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | FW05328-1 is found in Micromonospora. FW05328-1 was first documented in 2018 (PMID: 28823189). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure | MOL for NP0016897 (FW05328-1)
Mrv1652307042107233D
76 76 0 0 0 0 999 V2000
-2.2271 4.7256 1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 4.0949 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7568 4.5988 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1380 4.2415 -1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9523 3.5335 -1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8254 2.9268 -0.8272 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3986 3.9863 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8934 2.0579 -1.3970 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4438 0.6741 -1.7632 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3791 0.5405 -3.1557 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -0.4509 -1.1800 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6435 -1.3042 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 -1.2503 -0.1656 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6949 -0.6690 1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -2.6658 -0.2506 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3402 -2.6500 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 -3.4144 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 -3.3513 -2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3691 -2.5102 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7661 -2.7958 -1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1804 -3.9823 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1241 -4.3133 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 -3.5323 1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 -3.9825 2.2085 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 -2.3014 2.0953 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 -2.0404 2.4472 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5584 -1.9928 3.9811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0105 -0.7361 1.8729 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4171 0.4381 2.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4166 1.1633 2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8177 0.8816 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 1.1820 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.8469 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7473 1.1064 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7820 3.1315 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2937 4.7094 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 5.7847 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6361 4.2101 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 5.4975 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 4.6487 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2593 3.3559 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 2.3651 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7333 4.2983 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 2.0534 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3680 2.4943 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4117 0.5512 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 0.9431 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1406 -0.1008 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1863 -1.1431 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3769 -1.0543 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 -1.3779 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3827 -3.1955 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5894 -1.8261 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5460 -3.6024 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9390 -2.6952 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3281 -4.1628 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6073 -4.0208 -3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3676 -1.4910 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 -1.9704 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7160 -4.8032 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5156 -5.3573 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 -1.4733 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2019 -2.8269 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 -1.4454 4.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4242 -1.3584 4.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7018 -2.9807 4.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8528 -0.6802 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1066 -0.7210 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8350 0.7058 3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 1.9588 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2034 0.4247 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 0.8329 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3712 0.6810 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3242 1.8100 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3996 0.2982 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8398 3.4767 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 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 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
35 2 1 0 0 0 0
1 36 1 0 0 0 0
1 37 1 0 0 0 0
1 38 1 0 0 0 0
3 39 1 0 0 0 0
4 40 1 0 0 0 0
5 41 1 0 0 0 0
6 42 1 1 0 0 0
7 43 1 0 0 0 0
8 44 1 0 0 0 0
8 45 1 0 0 0 0
9 46 1 1 0 0 0
10 47 1 0 0 0 0
11 48 1 1 0 0 0
12 49 1 0 0 0 0
13 50 1 6 0 0 0
14 51 1 0 0 0 0
15 52 1 1 0 0 0
16 53 1 0 0 0 0
16 54 1 0 0 0 0
16 55 1 0 0 0 0
17 56 1 0 0 0 0
18 57 1 0 0 0 0
19 58 1 0 0 0 0
20 59 1 0 0 0 0
21 60 1 0 0 0 0
22 61 1 0 0 0 0
25 62 1 0 0 0 0
26 63 1 6 0 0 0
27 64 1 0 0 0 0
27 65 1 0 0 0 0
27 66 1 0 0 0 0
28 67 1 0 0 0 0
28 68 1 0 0 0 0
29 69 1 0 0 0 0
30 70 1 0 0 0 0
31 71 1 0 0 0 0
32 72 1 0 0 0 0
34 73 1 0 0 0 0
34 74 1 0 0 0 0
34 75 1 0 0 0 0
35 76 1 0 0 0 0
M END
3D MOL for NP0016897 (FW05328-1)
RDKit 3D
76 76 0 0 0 0 0 0 0 0999 V2000
-2.2271 4.7256 1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 4.0949 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7568 4.5988 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1380 4.2415 -1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9523 3.5335 -1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8254 2.9268 -0.8272 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3986 3.9863 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8934 2.0579 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4438 0.6741 -1.7632 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3791 0.5405 -3.1557 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -0.4509 -1.1800 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6435 -1.3042 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 -1.2503 -0.1656 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6949 -0.6690 1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -2.6658 -0.2506 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3402 -2.6500 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 -3.4144 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 -3.3513 -2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3691 -2.5102 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7661 -2.7958 -1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1804 -3.9823 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1241 -4.3133 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 -3.5323 1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 -3.9825 2.2085 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 -2.3014 2.0953 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 -2.0404 2.4472 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5584 -1.9928 3.9811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0105 -0.7361 1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4171 0.4381 2.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4166 1.1633 2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8177 0.8816 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 1.1820 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.8469 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7473 1.1064 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7820 3.1315 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2937 4.7094 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 5.7847 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6361 4.2101 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 5.4975 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 4.6487 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2593 3.3559 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 2.3651 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7333 4.2983 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 2.0534 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3680 2.4943 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4117 0.5512 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 0.9431 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1406 -0.1008 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1863 -1.1431 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3769 -1.0543 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 -1.3779 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3827 -3.1955 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.5460 -3.6024 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5156 -5.3573 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 -1.4733 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2019 -2.8269 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 -1.4454 4.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4242 -1.3584 4.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7018 -2.9807 4.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8528 -0.6802 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1066 -0.7210 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8350 0.7058 3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 1.9588 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2034 0.4247 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 0.8329 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.3242 1.8100 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.8398 3.4767 -0.6334 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
4 5 2 0
5 6 1 0
6 7 1 0
6 8 1 0
8 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
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17 18 2 0
18 19 1 0
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35 2 1 0
1 36 1 0
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5 41 1 0
6 42 1 1
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9 46 1 1
10 47 1 0
11 48 1 1
12 49 1 0
13 50 1 6
14 51 1 0
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16 55 1 0
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28 68 1 0
29 69 1 0
30 70 1 0
31 71 1 0
32 72 1 0
34 73 1 0
34 74 1 0
34 75 1 0
35 76 1 0
M END
3D SDF for NP0016897 (FW05328-1)
Mrv1652307042107233D
76 76 0 0 0 0 999 V2000
-2.2271 4.7256 1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 4.0949 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7568 4.5988 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1380 4.2415 -1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9523 3.5335 -1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8254 2.9268 -0.8272 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3986 3.9863 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8934 2.0579 -1.3970 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4438 0.6741 -1.7632 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3791 0.5405 -3.1557 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -0.4509 -1.1800 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6435 -1.3042 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 -1.2503 -0.1656 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6949 -0.6690 1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -2.6658 -0.2506 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3402 -2.6500 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 -3.4144 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 -3.3513 -2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1241 -4.3133 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1135 -2.3014 2.0953 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 -2.0404 2.4472 C 0 0 1 0 0 0 0 0 0 0 0 0
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1.5339 0.9431 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1406 -0.1008 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1863 -1.1431 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.6339 -1.3779 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5156 -5.3573 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 -1.4733 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2019 -2.8269 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 -1.4454 4.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4242 -1.3584 4.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0412 1.9588 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2034 0.4247 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 0.8329 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3712 0.6810 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3242 1.8100 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3996 0.2982 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8398 3.4767 -0.6334 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
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
25 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 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
35 2 1 0 0 0 0
1 36 1 0 0 0 0
1 37 1 0 0 0 0
1 38 1 0 0 0 0
3 39 1 0 0 0 0
4 40 1 0 0 0 0
5 41 1 0 0 0 0
6 42 1 1 0 0 0
7 43 1 0 0 0 0
8 44 1 0 0 0 0
8 45 1 0 0 0 0
9 46 1 1 0 0 0
10 47 1 0 0 0 0
11 48 1 1 0 0 0
12 49 1 0 0 0 0
13 50 1 6 0 0 0
14 51 1 0 0 0 0
15 52 1 1 0 0 0
16 53 1 0 0 0 0
16 54 1 0 0 0 0
16 55 1 0 0 0 0
17 56 1 0 0 0 0
18 57 1 0 0 0 0
19 58 1 0 0 0 0
20 59 1 0 0 0 0
21 60 1 0 0 0 0
22 61 1 0 0 0 0
25 62 1 0 0 0 0
26 63 1 6 0 0 0
27 64 1 0 0 0 0
27 65 1 0 0 0 0
27 66 1 0 0 0 0
28 67 1 0 0 0 0
28 68 1 0 0 0 0
29 69 1 0 0 0 0
30 70 1 0 0 0 0
31 71 1 0 0 0 0
32 72 1 0 0 0 0
34 73 1 0 0 0 0
34 74 1 0 0 0 0
34 75 1 0 0 0 0
35 76 1 0 0 0 0
M END
> <DATABASE_ID>
NP0016897
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(\C(\[H])=C(/C(/[H])=C(/[H])\C(\[H])=C([H])/C([H])([H])[C@@]([H])(N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C29H41NO5/c1-21-13-8-7-10-16-24(4)30-27(33)18-11-6-5-9-15-23(3)28(34)29(35)26(32)20-25(31)17-12-14-22(2)19-21/h5-15,17-19,23-26,28-29,31-32,34-35H,16,20H2,1-4H3,(H,30,33)/b6-5-,10-7-,13-8-,15-9-,17-12-,18-11-,21-19-,22-14-/t23-,24+,25+,26-,28-,29+/m1/s1
> <INCHI_KEY>
BZBHDMVIUBXEAS-VELIOCRSSA-N
> <FORMULA>
C29H41NO5
> <MOLECULAR_WEIGHT>
483.649
> <EXACT_MASS>
483.298473424
> <JCHEM_ACCEPTOR_COUNT>
5
> <JCHEM_ATOM_COUNT>
76
> <JCHEM_AVERAGE_POLARIZABILITY>
53.31426599763485
> <JCHEM_BIOAVAILABILITY>
1
> <JCHEM_DONOR_COUNT>
5
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3Z,5Z,7Z,9R,10R,11S,12R,14R,15Z,17Z,19Z,21Z,23Z,26S)-10,11,12,14-tetrahydroxy-9,18,20,26-tetramethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
> <ALOGPS_LOGP>
3.85
> <JCHEM_LOGP>
2.6488441399999996
> <ALOGPS_LOGS>
-4.66
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
14.268087492151643
> <JCHEM_PKA_STRONGEST_ACIDIC>
13.062591422619555
> <JCHEM_PKA_STRONGEST_BASIC>
-0.182402510232769
> <JCHEM_POLAR_SURFACE_AREA>
110.02000000000001
> <JCHEM_REFRACTIVITY>
151.1072
> <JCHEM_ROTATABLE_BOND_COUNT>
0
> <JCHEM_RULE_OF_FIVE>
1
> <ALOGPS_SOLUBILITY>
1.06e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3Z,5Z,7Z,9R,10R,11S,12R,14R,15Z,17Z,19Z,21Z,23Z,26S)-10,11,12,14-tetrahydroxy-9,18,20,26-tetramethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0016897 (FW05328-1)
RDKit 3D
76 76 0 0 0 0 0 0 0 0999 V2000
-2.2271 4.7256 1.5017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 4.0949 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7568 4.5988 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1380 4.2415 -1.6212 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9523 3.5335 -1.8633 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8254 2.9268 -0.8272 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3986 3.9863 -0.0686 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8934 2.0579 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4438 0.6741 -1.7632 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3791 0.5405 -3.1557 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2430 -0.4509 -1.1800 C 0 0 2 0 0 0 0 0 0 0 0 0
3.6435 -1.3042 -2.1984 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3964 -1.2503 -0.1656 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6949 -0.6690 1.0714 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8277 -2.6658 -0.2506 C 0 0 2 0 0 0 0 0 0 0 0 0
4.3402 -2.6500 0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5489 -3.4144 -1.4636 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5066 -3.3513 -2.2499 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3691 -2.5102 -2.0849 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7661 -2.7958 -1.4513 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1804 -3.9823 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1241 -4.3133 0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6131 -3.5323 1.5982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3984 -3.9825 2.2085 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1135 -2.3014 2.0953 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.4965 -2.0404 2.4472 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5584 -1.9928 3.9811 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0105 -0.7361 1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4171 0.4381 2.5743 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4166 1.1633 2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8177 0.8816 0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 1.1820 -0.3779 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 1.8469 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7473 1.1064 -1.3018 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7820 3.1315 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2937 4.7094 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9110 5.7847 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6361 4.2101 2.2784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3075 5.4975 0.1709 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5192 4.6487 -2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2593 3.3559 -2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2400 2.3651 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7333 4.2983 0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7133 2.0534 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3680 2.4943 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4117 0.5512 -1.3445 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5339 0.9431 -3.4845 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1406 -0.1008 -0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1863 -1.1431 -3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3769 -1.0543 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6339 -1.3779 1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3827 -3.1955 0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5894 -1.8261 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5460 -3.6024 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9390 -2.6952 -0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3281 -4.1628 -1.7759 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6073 -4.0208 -3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3676 -1.4910 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 -1.9704 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7160 -4.8032 -1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5156 -5.3573 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4613 -1.4733 2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2019 -2.8269 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6600 -1.4454 4.3754 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4242 -1.3584 4.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7018 -2.9807 4.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8528 -0.6802 0.7807 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1066 -0.7210 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8350 0.7058 3.5479 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0412 1.9588 2.6872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2034 0.4247 0.7407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7934 0.8329 -1.2869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3712 0.6810 -0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3242 1.8100 -1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3996 0.2982 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8398 3.4767 -0.6334 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
4 5 2 0
5 6 1 0
6 7 1 0
6 8 1 0
8 9 1 0
9 10 1 0
9 11 1 0
11 12 1 0
11 13 1 0
13 14 1 0
13 15 1 0
15 16 1 0
15 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
26 27 1 0
26 28 1 0
28 29 1 0
29 30 2 0
30 31 1 0
31 32 2 0
32 33 1 0
33 34 1 0
33 35 2 0
35 2 1 0
1 36 1 0
1 37 1 0
1 38 1 0
3 39 1 0
4 40 1 0
5 41 1 0
6 42 1 1
7 43 1 0
8 44 1 0
8 45 1 0
9 46 1 1
10 47 1 0
11 48 1 1
12 49 1 0
13 50 1 6
14 51 1 0
15 52 1 1
16 53 1 0
16 54 1 0
16 55 1 0
17 56 1 0
18 57 1 0
19 58 1 0
20 59 1 0
21 60 1 0
22 61 1 0
25 62 1 0
26 63 1 6
27 64 1 0
27 65 1 0
27 66 1 0
28 67 1 0
28 68 1 0
29 69 1 0
30 70 1 0
31 71 1 0
32 72 1 0
34 73 1 0
34 74 1 0
34 75 1 0
35 76 1 0
M END
PDB for NP0016897 (FW05328-1)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -2.227 4.726 1.502 0.00 0.00 C+0 HETATM 2 C UNK 0 -1.860 4.095 0.157 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.757 4.599 -0.393 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.138 4.242 -1.621 0.00 0.00 C+0 HETATM 5 C UNK 0 0.952 3.534 -1.863 0.00 0.00 C+0 HETATM 6 C UNK 0 1.825 2.927 -0.827 0.00 0.00 C+0 HETATM 7 O UNK 0 2.399 3.986 -0.069 0.00 0.00 O+0 HETATM 8 C UNK 0 2.893 2.058 -1.397 0.00 0.00 C+0 HETATM 9 C UNK 0 2.444 0.674 -1.763 0.00 0.00 C+0 HETATM 10 O UNK 0 2.379 0.541 -3.156 0.00 0.00 O+0 HETATM 11 C UNK 0 3.243 -0.451 -1.180 0.00 0.00 C+0 HETATM 12 O UNK 0 3.644 -1.304 -2.198 0.00 0.00 O+0 HETATM 13 C UNK 0 2.396 -1.250 -0.166 0.00 0.00 C+0 HETATM 14 O UNK 0 2.695 -0.669 1.071 0.00 0.00 O+0 HETATM 15 C UNK 0 2.828 -2.666 -0.251 0.00 0.00 C+0 HETATM 16 C UNK 0 4.340 -2.650 0.050 0.00 0.00 C+0 HETATM 17 C UNK 0 2.549 -3.414 -1.464 0.00 0.00 C+0 HETATM 18 C UNK 0 1.507 -3.351 -2.250 0.00 0.00 C+0 HETATM 19 C UNK 0 0.369 -2.510 -2.085 0.00 0.00 C+0 HETATM 20 C UNK 0 -0.766 -2.796 -1.451 0.00 0.00 C+0 HETATM 21 C UNK 0 -1.180 -3.982 -0.770 0.00 0.00 C+0 HETATM 22 C UNK 0 -1.124 -4.313 0.498 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.613 -3.532 1.598 0.00 0.00 C+0 HETATM 24 O UNK 0 0.398 -3.982 2.208 0.00 0.00 O+0 HETATM 25 N UNK 0 -1.113 -2.301 2.095 0.00 0.00 N+0 HETATM 26 C UNK 0 -2.497 -2.040 2.447 0.00 0.00 C+0 HETATM 27 C UNK 0 -2.558 -1.993 3.981 0.00 0.00 C+0 HETATM 28 C UNK 0 -3.010 -0.736 1.873 0.00 0.00 C+0 HETATM 29 C UNK 0 -2.417 0.438 2.574 0.00 0.00 C+0 HETATM 30 C UNK 0 -1.417 1.163 2.064 0.00 0.00 C+0 HETATM 31 C UNK 0 -0.818 0.882 0.786 0.00 0.00 C+0 HETATM 32 C UNK 0 -1.350 1.182 -0.378 0.00 0.00 C+0 HETATM 33 C UNK 0 -2.598 1.847 -0.643 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.747 1.106 -1.302 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.782 3.131 -0.389 0.00 0.00 C+0 HETATM 36 H UNK 0 -3.294 4.709 1.697 0.00 0.00 H+0 HETATM 37 H UNK 0 -1.911 5.785 1.539 0.00 0.00 H+0 HETATM 38 H UNK 0 -1.636 4.210 2.278 0.00 0.00 H+0 HETATM 39 H UNK 0 -0.308 5.497 0.171 0.00 0.00 H+0 HETATM 40 H UNK 0 -0.519 4.649 -2.602 0.00 0.00 H+0 HETATM 41 H UNK 0 1.259 3.356 -2.910 0.00 0.00 H+0 HETATM 42 H UNK 0 1.240 2.365 -0.113 0.00 0.00 H+0 HETATM 43 H UNK 0 1.733 4.298 0.590 0.00 0.00 H+0 HETATM 44 H UNK 0 3.713 2.053 -0.613 0.00 0.00 H+0 HETATM 45 H UNK 0 3.368 2.494 -2.309 0.00 0.00 H+0 HETATM 46 H UNK 0 1.412 0.551 -1.345 0.00 0.00 H+0 HETATM 47 H UNK 0 1.534 0.943 -3.485 0.00 0.00 H+0 HETATM 48 H UNK 0 4.141 -0.101 -0.643 0.00 0.00 H+0 HETATM 49 H UNK 0 3.186 -1.143 -3.052 0.00 0.00 H+0 HETATM 50 H UNK 0 1.377 -1.054 -0.494 0.00 0.00 H+0 HETATM 51 H UNK 0 2.634 -1.378 1.751 0.00 0.00 H+0 HETATM 52 H UNK 0 2.383 -3.196 0.610 0.00 0.00 H+0 HETATM 53 H UNK 0 4.589 -1.826 0.715 0.00 0.00 H+0 HETATM 54 H UNK 0 4.546 -3.602 0.579 0.00 0.00 H+0 HETATM 55 H UNK 0 4.939 -2.695 -0.874 0.00 0.00 H+0 HETATM 56 H UNK 0 3.328 -4.163 -1.776 0.00 0.00 H+0 HETATM 57 H UNK 0 1.607 -4.021 -3.160 0.00 0.00 H+0 HETATM 58 H UNK 0 0.368 -1.491 -2.600 0.00 0.00 H+0 HETATM 59 H UNK 0 -1.536 -1.970 -1.525 0.00 0.00 H+0 HETATM 60 H UNK 0 -1.716 -4.803 -1.371 0.00 0.00 H+0 HETATM 61 H UNK 0 -1.516 -5.357 0.728 0.00 0.00 H+0 HETATM 62 H UNK 0 -0.461 -1.473 2.257 0.00 0.00 H+0 HETATM 63 H UNK 0 -3.202 -2.827 2.128 0.00 0.00 H+0 HETATM 64 H UNK 0 -1.660 -1.445 4.375 0.00 0.00 H+0 HETATM 65 H UNK 0 -3.424 -1.358 4.251 0.00 0.00 H+0 HETATM 66 H UNK 0 -2.702 -2.981 4.431 0.00 0.00 H+0 HETATM 67 H UNK 0 -2.853 -0.680 0.781 0.00 0.00 H+0 HETATM 68 H UNK 0 -4.107 -0.721 2.032 0.00 0.00 H+0 HETATM 69 H UNK 0 -2.835 0.706 3.548 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.041 1.959 2.687 0.00 0.00 H+0 HETATM 71 H UNK 0 0.203 0.425 0.741 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.793 0.833 -1.287 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.371 0.681 -0.497 0.00 0.00 H+0 HETATM 74 H UNK 0 -4.324 1.810 -1.937 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.400 0.298 -1.956 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.840 3.477 -0.633 0.00 0.00 H+0 CONECT 1 2 36 37 38 CONECT 2 1 3 35 CONECT 3 2 4 39 CONECT 4 3 5 40 CONECT 5 4 6 41 CONECT 6 5 7 8 42 CONECT 7 6 43 CONECT 8 6 9 44 45 CONECT 9 8 10 11 46 CONECT 10 9 47 CONECT 11 9 12 13 48 CONECT 12 11 49 CONECT 13 11 14 15 50 CONECT 14 13 51 CONECT 15 13 16 17 52 CONECT 16 15 53 54 55 CONECT 17 15 18 56 CONECT 18 17 19 57 CONECT 19 18 20 58 CONECT 20 19 21 59 CONECT 21 20 22 60 CONECT 22 21 23 61 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 62 CONECT 26 25 27 28 63 CONECT 27 26 64 65 66 CONECT 28 26 29 67 68 CONECT 29 28 30 69 CONECT 30 29 31 70 CONECT 31 30 32 71 CONECT 32 31 33 72 CONECT 33 32 34 35 CONECT 34 33 73 74 75 CONECT 35 33 2 76 CONECT 36 1 CONECT 37 1 CONECT 38 1 CONECT 39 3 CONECT 40 4 CONECT 41 5 CONECT 42 6 CONECT 43 7 CONECT 44 8 CONECT 45 8 CONECT 46 9 CONECT 47 10 CONECT 48 11 CONECT 49 12 CONECT 50 13 CONECT 51 14 CONECT 52 15 CONECT 53 16 CONECT 54 16 CONECT 55 16 CONECT 56 17 CONECT 57 18 CONECT 58 19 CONECT 59 20 CONECT 60 21 CONECT 61 22 CONECT 62 25 CONECT 63 26 CONECT 64 27 CONECT 65 27 CONECT 66 27 CONECT 67 28 CONECT 68 28 CONECT 69 29 CONECT 70 30 CONECT 71 31 CONECT 72 32 CONECT 73 34 CONECT 74 34 CONECT 75 34 CONECT 76 35 MASTER 0 0 0 0 0 0 0 0 76 0 152 0 END SMILES for NP0016897 (FW05328-1)[H]O[C@@]1([H])\C([H])=C(\[H])/C(/[H])=C(\C(\[H])=C(/C(/[H])=C(/[H])\C(\[H])=C([H])/C([H])([H])[C@@]([H])(N([H])C(=O)\C([H])=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C([H])/[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]([H])(O[H])C1([H])[H])C([H])([H])[H])\C([H])([H])[H])/C([H])([H])[H] INCHI for NP0016897 (FW05328-1)InChI=1S/C29H41NO5/c1-21-13-8-7-10-16-24(4)30-27(33)18-11-6-5-9-15-23(3)28(34)29(35)26(32)20-25(31)17-12-14-22(2)19-21/h5-15,17-19,23-26,28-29,31-32,34-35H,16,20H2,1-4H3,(H,30,33)/b6-5-,10-7-,13-8-,15-9-,17-12-,18-11-,21-19-,22-14-/t23-,24+,25+,26-,28-,29+/m1/s1 3D Structure for NP0016897 (FW05328-1) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C29H41NO5 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 483.6490 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 483.29847 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3Z,5Z,7Z,9R,10R,11S,12R,14R,15Z,17Z,19Z,21Z,23Z,26S)-10,11,12,14-tetrahydroxy-9,18,20,26-tetramethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3Z,5Z,7Z,9R,10R,11S,12R,14R,15Z,17Z,19Z,21Z,23Z,26S)-10,11,12,14-tetrahydroxy-9,18,20,26-tetramethyl-1-azacyclohexacosa-3,5,7,15,17,19,21,23-octaen-2-one | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC1C\C=C/C=C\C(\C)=C/C(/C)=C\C=C/C(O)CC(O)C(O)C(O)C(C)\C=C/C=C\C=C/C(=O)N1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C29H41NO5/c1-21-13-8-7-10-16-24(4)30-27(33)18-11-6-5-9-15-23(3)28(34)29(35)26(32)20-25(31)17-12-14-22(2)19-21/h5-15,17-19,23-26,28-29,31-32,34-35H,16,20H2,1-4H3,(H,30,33)/b6-5-,10-7-,13-8-,15-9-,17-12-,18-11-,21-19-,22-14- | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | BZBHDMVIUBXEAS-VELIOCRSSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| 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 | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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