Showing NP-Card for Bananamide F (NP0020849)
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 06:11:50 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:34:46 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0020849 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Bananamide F | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Bananamide F is found in Pseudomonas sp. COW3. Based on a literature review very few articles have been published on Bananamide F. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0020849 (Bananamide F)
Mrv1652307042107543D
163163 0 0 0 0 999 V2000
15.6136 0.4608 -3.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5798 1.5371 -3.3689 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2809 0.9730 -2.7933 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5581 0.4656 -1.4184 C 0 0 1 0 0 0 0 0 0 0 0 0
12.3216 -0.0931 -0.7782 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7128 -1.2515 -1.5685 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5212 -1.7031 -0.7807 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7644 -2.8518 -1.4151 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5781 -3.9628 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5691 -3.2219 -0.5152 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6645 -2.0704 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7537 -1.1603 -1.2967 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7176 -1.9093 0.6429 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8921 -0.7401 0.6459 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7105 0.5028 1.0184 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3635 0.4753 2.3325 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3670 -0.6117 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 1.7900 2.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6467 -0.8170 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3469 -1.8040 2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6565 0.2227 1.3566 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 0.2505 2.0595 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1055 1.6165 2.5619 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1546 2.1375 3.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 3.2765 3.9859 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 1.3118 3.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 -0.3633 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -1.4254 0.6787 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0558 0.2689 1.2843 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1636 -0.1934 0.6240 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3926 0.5729 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 0.5175 -1.4364 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 1.3607 -1.0093 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3656 2.1848 -0.2556 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7181 3.4351 0.1732 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.2692 4.3191 -0.9363 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6577 5.6200 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 3.7443 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5745 2.5206 -1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4162 2.5339 -2.3566 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8595 2.8206 -0.6055 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2286 3.0102 0.7482 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3967 4.5009 1.0832 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4405 5.1547 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8141 4.5940 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3973 6.6552 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2670 2.1630 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1037 2.0406 2.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3606 1.4757 0.8489 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6841 0.5151 -0.1105 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1471 0.8156 -0.5425 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.6033 -0.0752 -1.4808 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9475 0.2175 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2244 0.9589 -2.3013 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9676 -0.7510 -1.5645 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7664 -2.0136 -0.9285 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8514 -2.9821 -1.2884 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.0197 -3.3420 -2.7107 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3594 -2.2237 -3.6583 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1387 -4.3815 -2.9004 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4009 -2.5675 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9252 -2.1547 -2.3296 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6419 -3.4473 -0.4494 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1724 -3.3600 0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6891 -4.4211 1.8139 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1575 -4.5132 2.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1389 -5.7625 1.3453 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6367 -6.8945 2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2478 -1.9702 1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2329 -1.8770 2.3117 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4144 -0.9807 1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2670 -0.3816 1.6099 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6288 -1.2688 2.7076 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0886 0.4142 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1596 -0.5308 -3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3688 0.7226 -4.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9213 2.3529 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3671 1.9308 -4.4003 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5276 1.7767 -2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9213 0.1811 -3.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3630 -0.3119 -1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9152 1.2947 -0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5283 0.7039 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4766 -0.3876 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5081 -2.0211 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4523 -0.8867 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8975 -0.8267 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9219 -2.0916 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3940 -2.5299 -2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0837 -4.6396 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9855 -3.4500 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0787 -4.0785 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6264 -2.6260 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6545 -0.5215 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4796 0.6006 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0298 1.3473 0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6822 0.5054 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0175 -0.2310 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0806 -0.7042 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9717 -1.5559 2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5049 2.6612 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5802 1.8393 3.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9994 1.7033 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 1.0383 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -0.4122 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9581 2.3633 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1826 1.5557 3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0635 0.4179 4.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 1.1858 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 -1.2515 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 1.3497 -2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8342 1.6099 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 3.1484 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2660 3.9967 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0839 4.7024 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0929 5.3728 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 6.0904 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 6.3087 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 4.6814 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4543 3.1890 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6410 3.2605 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6684 2.9342 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2568 2.7709 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7761 4.5179 2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4291 4.9783 0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1426 5.0593 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0085 3.8371 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0058 4.1428 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6031 5.3858 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3337 6.7409 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2727 7.1600 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4463 7.0281 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2715 1.7576 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8395 -0.4987 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7722 0.9505 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0521 1.8102 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8427 0.3383 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2777 -0.5150 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8606 -1.9349 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8115 -2.4545 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.0532 -3.7786 -3.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1184 -1.5896 -3.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8967 -2.6300 -4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5100 -1.6062 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5103 -4.3581 -3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9462 -4.0865 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6924 -5.3580 -2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3387 -4.3550 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0414 -3.5451 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2577 -4.3135 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7315 -3.5969 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5443 -5.2278 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4277 -5.0466 2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0527 -5.7404 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5235 -5.9853 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3269 -6.8043 3.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.0580 -0.6706 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 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
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
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23 24 1 0 0 0 0
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24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
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31 33 1 0 0 0 0
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43 44 1 0 0 0 0
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42 47 1 0 0 0 0
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49 50 1 0 0 0 0
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53 54 2 0 0 0 0
53 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
58 60 1 0 0 0 0
56 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
64 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 30 1 0 0 0 0
1 74 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
2 77 1 0 0 0 0
2 78 1 0 0 0 0
3 79 1 0 0 0 0
3 80 1 0 0 0 0
4 81 1 0 0 0 0
4 82 1 0 0 0 0
5 83 1 0 0 0 0
5 84 1 0 0 0 0
6 85 1 0 0 0 0
6 86 1 0 0 0 0
7 87 1 0 0 0 0
7 88 1 0 0 0 0
8 89 1 6 0 0 0
9 90 1 0 0 0 0
10 91 1 0 0 0 0
10 92 1 0 0 0 0
13 93 1 0 0 0 0
14 94 1 6 0 0 0
15 95 1 0 0 0 0
15 96 1 0 0 0 0
16 97 1 1 0 0 0
17 98 1 0 0 0 0
17 99 1 0 0 0 0
17100 1 0 0 0 0
18101 1 0 0 0 0
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21104 1 0 0 0 0
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26108 1 0 0 0 0
29109 1 0 0 0 0
30110 1 6 0 0 0
33111 1 0 0 0 0
34112 1 1 0 0 0
35113 1 0 0 0 0
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36115 1 6 0 0 0
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51135 1 0 0 0 0
51136 1 0 0 0 0
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56139 1 1 0 0 0
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57141 1 0 0 0 0
58142 1 6 0 0 0
59143 1 0 0 0 0
59144 1 0 0 0 0
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60148 1 0 0 0 0
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67155 1 0 0 0 0
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72160 1 1 0 0 0
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73162 1 0 0 0 0
73163 1 0 0 0 0
M END
3D MOL for NP0020849 (Bananamide F)
RDKit 3D
163163 0 0 0 0 0 0 0 0999 V2000
15.6136 0.4608 -3.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5798 1.5371 -3.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2809 0.9730 -2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5581 0.4656 -1.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3216 -0.0931 -0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7128 -1.2515 -1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5212 -1.7031 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7644 -2.8518 -1.4151 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5781 -3.9628 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5691 -3.2219 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6645 -2.0704 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7537 -1.1603 -1.2967 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7176 -1.9093 0.6429 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8921 -0.7401 0.6459 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7105 0.5028 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3635 0.4753 2.3325 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3670 -0.6117 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 1.7900 2.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6467 -0.8170 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3469 -1.8040 2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6565 0.2227 1.3566 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 0.2505 2.0595 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1055 1.6165 2.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1546 2.1375 3.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 3.2765 3.9859 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 1.3118 3.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 -0.3633 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -1.4254 0.6787 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0558 0.2689 1.2843 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1636 -0.1934 0.6240 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3926 0.5729 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 0.5175 -1.4364 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 1.3607 -1.0093 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3656 2.1848 -0.2556 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7181 3.4351 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2692 4.3191 -0.9363 C 0 0 1 0 0 0 0 0 0 0 0 0
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-6.2286 3.0102 0.7482 C 0 0 1 0 0 0 0 0 0 0 0 0
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-7.4405 5.1547 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0
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-8.6841 0.5151 -0.1105 C 0 0 1 0 0 0 0 0 0 0 0 0
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3 4 1 0
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6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
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16 18 1 0
14 19 1 0
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19 21 1 0
21 22 1 0
22 23 1 0
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30110 1 6
33111 1 0
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68157 1 0
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68159 1 0
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73161 1 0
73162 1 0
73163 1 0
M END
3D SDF for NP0020849 (Bananamide F)
Mrv1652307042107543D
163163 0 0 0 0 999 V2000
15.6136 0.4608 -3.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5798 1.5371 -3.3689 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2809 0.9730 -2.7933 C 0 0 1 0 0 0 0 0 0 0 0 0
13.5581 0.4656 -1.4184 C 0 0 1 0 0 0 0 0 0 0 0 0
12.3216 -0.0931 -0.7782 C 0 0 2 0 0 0 0 0 0 0 0 0
11.7128 -1.2515 -1.5685 C 0 0 2 0 0 0 0 0 0 0 0 0
10.5212 -1.7031 -0.7807 C 0 0 2 0 0 0 0 0 0 0 0 0
9.7644 -2.8518 -1.4151 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5781 -3.9628 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5691 -3.2219 -0.5152 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6645 -2.0704 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7537 -1.1603 -1.2967 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7176 -1.9093 0.6429 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8921 -0.7401 0.6459 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7105 0.5028 1.0184 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3635 0.4753 2.3325 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3670 -0.6117 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 1.7900 2.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6467 -0.8170 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3469 -1.8040 2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6565 0.2227 1.3566 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 0.2505 2.0595 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1055 1.6165 2.5619 C 0 0 1 0 0 0 0 0 0 0 0 0
3.1546 2.1375 3.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 3.2765 3.9859 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 1.3118 3.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 -0.3633 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -1.4254 0.6787 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.1636 -0.1934 0.6240 C 0 0 2 0 0 0 0 0 0 0 0 0
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-6.2286 3.0102 0.7482 C 0 0 1 0 0 0 0 0 0 0 0 0
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-8.8141 4.5940 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3973 6.6552 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2670 2.1630 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
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-10.1471 0.8156 -0.5425 C 0 0 1 0 0 0 0 0 0 0 0 0
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-2.2670 -0.3816 1.6099 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6288 -1.2688 2.7076 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0886 0.4142 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1596 -0.5308 -3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3688 0.7226 -4.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9213 2.3529 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
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12.5276 1.7767 -2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
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14.3630 -0.3119 -1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
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11.4523 -0.8867 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
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10.9219 -2.0916 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3940 -2.5299 -2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0837 -4.6396 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9855 -3.4500 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0787 -4.0785 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6264 -2.6260 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6545 -0.5215 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4796 0.6006 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0298 1.3473 0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6822 0.5054 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0175 -0.2310 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0806 -0.7042 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9717 -1.5559 2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5049 2.6612 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5802 1.8393 3.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9994 1.7033 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 1.0383 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -0.4122 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9581 2.3633 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1826 1.5557 3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0635 0.4179 4.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
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-8.8115 -2.4545 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8478 -3.8779 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0532 -3.7786 -3.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1184 -1.5896 -3.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8967 -2.6300 -4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5100 -1.6062 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5103 -4.3581 -3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9462 -4.0865 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6924 -5.3580 -2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3387 -4.3550 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0414 -3.5451 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2577 -4.3135 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7315 -3.5969 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5443 -5.2278 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4277 -5.0466 2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0527 -5.7404 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5235 -5.9853 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3269 -6.8043 3.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7386 -7.0299 2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1770 -7.8317 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 0.5886 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 -1.9448 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8555 -1.9413 2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0580 -0.6706 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 2 0 0 0 0
11 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
16 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
22 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
34 39 1 0 0 0 0
39 40 2 0 0 0 0
39 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
44 46 1 0 0 0 0
42 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
50 53 1 0 0 0 0
53 54 2 0 0 0 0
53 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
58 60 1 0 0 0 0
56 61 1 0 0 0 0
61 62 2 0 0 0 0
61 63 1 0 0 0 0
63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
65 67 1 0 0 0 0
67 68 1 0 0 0 0
64 69 1 0 0 0 0
69 70 2 0 0 0 0
69 71 1 0 0 0 0
71 72 1 0 0 0 0
72 73 1 0 0 0 0
72 30 1 0 0 0 0
1 74 1 0 0 0 0
1 75 1 0 0 0 0
1 76 1 0 0 0 0
2 77 1 0 0 0 0
2 78 1 0 0 0 0
3 79 1 0 0 0 0
3 80 1 0 0 0 0
4 81 1 0 0 0 0
4 82 1 0 0 0 0
5 83 1 0 0 0 0
5 84 1 0 0 0 0
6 85 1 0 0 0 0
6 86 1 0 0 0 0
7 87 1 0 0 0 0
7 88 1 0 0 0 0
8 89 1 6 0 0 0
9 90 1 0 0 0 0
10 91 1 0 0 0 0
10 92 1 0 0 0 0
13 93 1 0 0 0 0
14 94 1 6 0 0 0
15 95 1 0 0 0 0
15 96 1 0 0 0 0
16 97 1 1 0 0 0
17 98 1 0 0 0 0
17 99 1 0 0 0 0
17100 1 0 0 0 0
18101 1 0 0 0 0
18102 1 0 0 0 0
18103 1 0 0 0 0
21104 1 0 0 0 0
22105 1 1 0 0 0
23106 1 0 0 0 0
23107 1 0 0 0 0
26108 1 0 0 0 0
29109 1 0 0 0 0
30110 1 6 0 0 0
33111 1 0 0 0 0
34112 1 1 0 0 0
35113 1 0 0 0 0
35114 1 0 0 0 0
36115 1 6 0 0 0
37116 1 0 0 0 0
37117 1 0 0 0 0
37118 1 0 0 0 0
38119 1 0 0 0 0
38120 1 0 0 0 0
38121 1 0 0 0 0
41122 1 0 0 0 0
42123 1 1 0 0 0
43124 1 0 0 0 0
43125 1 0 0 0 0
44126 1 6 0 0 0
45127 1 0 0 0 0
45128 1 0 0 0 0
45129 1 0 0 0 0
46130 1 0 0 0 0
46131 1 0 0 0 0
46132 1 0 0 0 0
49133 1 0 0 0 0
50134 1 1 0 0 0
51135 1 0 0 0 0
51136 1 0 0 0 0
52137 1 0 0 0 0
55138 1 0 0 0 0
56139 1 1 0 0 0
57140 1 0 0 0 0
57141 1 0 0 0 0
58142 1 6 0 0 0
59143 1 0 0 0 0
59144 1 0 0 0 0
59145 1 0 0 0 0
60146 1 0 0 0 0
60147 1 0 0 0 0
60148 1 0 0 0 0
63149 1 0 0 0 0
64150 1 6 0 0 0
65151 1 1 0 0 0
66152 1 0 0 0 0
66153 1 0 0 0 0
66154 1 0 0 0 0
67155 1 0 0 0 0
67156 1 0 0 0 0
68157 1 0 0 0 0
68158 1 0 0 0 0
68159 1 0 0 0 0
72160 1 1 0 0 0
73161 1 0 0 0 0
73162 1 0 0 0 0
73163 1 0 0 0 0
M END
> <DATABASE_ID>
NP0020849
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C51H90N8O14/c1-13-15-16-17-18-19-33(61)24-40(62)52-34(20-27(3)4)44(65)55-38(25-41(63)64)48(69)59-43-32(12)73-51(72)42(31(11)14-2)58-47(68)37(23-30(9)10)54-49(70)39(26-60)57-46(67)35(21-28(5)6)53-45(66)36(22-29(7)8)56-50(43)71/h27-39,42-43,60-61H,13-26H2,1-12H3,(H,52,62)(H,53,66)(H,54,70)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,63,64)/t31-,32-,33+,34+,35-,36-,37-,38-,39-,42+,43-/m0/s1
> <INCHI_KEY>
UTOABZPUTYPEOH-UHFFFAOYSA-N
> <FORMULA>
C51H90N8O14
> <MOLECULAR_WEIGHT>
1039.323
> <EXACT_MASS>
1038.65764961
> <JCHEM_ACCEPTOR_COUNT>
13
> <JCHEM_ATOM_COUNT>
163
> <JCHEM_AVERAGE_POLARIZABILITY>
114.35990334645794
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
11
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3S)-3-{[(3R,6S,9S,12S,15S,18S,19S)-3-[(2S)-butan-2-yl]-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-3-[(2R)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid
> <ALOGPS_LOGP>
2.20
> <JCHEM_LOGP>
2.7601265596666655
> <ALOGPS_LOGS>
-4.79
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1
> <JCHEM_PKA>
11.316399924386788
> <JCHEM_PKA_STRONGEST_ACIDIC>
4.007654411401527
> <JCHEM_POLAR_SURFACE_AREA>
336.85999999999996
> <JCHEM_REFRACTIVITY>
267.71270000000015
> <JCHEM_ROTATABLE_BOND_COUNT>
26
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.68e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3-{[(3R,6S,9S,12S,15S,18S,19S)-3-[(2S)-butan-2-yl]-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-3-[(2R)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0020849 (Bananamide F)
RDKit 3D
163163 0 0 0 0 0 0 0 0999 V2000
15.6136 0.4608 -3.4169 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5798 1.5371 -3.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2809 0.9730 -2.7933 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5581 0.4656 -1.4184 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3216 -0.0931 -0.7782 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7128 -1.2515 -1.5685 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5212 -1.7031 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7644 -2.8518 -1.4151 C 0 0 1 0 0 0 0 0 0 0 0 0
10.5781 -3.9628 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5691 -3.2219 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6645 -2.0704 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7537 -1.1603 -1.2967 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7176 -1.9093 0.6429 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8921 -0.7401 0.6459 C 0 0 2 0 0 0 0 0 0 0 0 0
6.7105 0.5028 1.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3635 0.4753 2.3325 C 0 0 1 0 0 0 0 0 0 0 0 0
8.3670 -0.6117 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1580 1.7900 2.4537 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6467 -0.8170 1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3469 -1.8040 2.1350 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6565 0.2227 1.3566 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4259 0.2505 2.0595 C 0 0 1 0 0 0 0 0 0 0 0 0
2.1055 1.6165 2.5619 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1546 2.1375 3.5028 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1102 3.2765 3.9859 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2087 1.3118 3.8413 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2840 -0.3633 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5207 -1.4254 0.6787 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0558 0.2689 1.2843 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1636 -0.1934 0.6240 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3926 0.5729 -0.5794 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4170 0.5175 -1.4364 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4588 1.3607 -1.0093 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3656 2.1848 -0.2556 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7181 3.4351 0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2692 4.3191 -0.9363 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6577 5.6200 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2106 3.7443 -1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5745 2.5206 -1.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4162 2.5339 -2.3566 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8595 2.8206 -0.6055 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.2286 3.0102 0.7482 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3967 4.5009 1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4405 5.1547 0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.8141 4.5940 0.3317 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3973 6.6552 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2670 2.1630 1.3323 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.1037 2.0406 2.6289 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3606 1.4757 0.8489 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.6841 0.5151 -0.1105 C 0 0 1 0 0 0 0 0 0 0 0 0
-10.1471 0.8156 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.6033 -0.0752 -1.4808 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9475 0.2175 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.2244 0.9589 -2.3013 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9676 -0.7510 -1.5645 N 0 0 0 0 0 0 0 0 0 0 0 0
-6.7664 -2.0136 -0.9285 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.8514 -2.9821 -1.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0197 -3.3420 -2.7107 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.3594 -2.2237 -3.6583 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.1387 -4.3815 -2.9004 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4009 -2.5675 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9252 -2.1547 -2.3296 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6419 -3.4473 -0.4494 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.1724 -3.3600 0.9051 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.6891 -4.4211 1.8139 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.1575 -4.5132 2.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1389 -5.7625 1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6367 -6.8945 2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2478 -1.9702 1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2329 -1.8770 2.3117 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4144 -0.9807 1.2022 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2670 -0.3816 1.6099 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6288 -1.2688 2.7076 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0886 0.4142 -2.4094 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1596 -0.5308 -3.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
16.3688 0.7226 -4.1907 H 0 0 0 0 0 0 0 0 0 0 0 0
14.9213 2.3529 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3671 1.9308 -4.4003 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5276 1.7767 -2.7758 H 0 0 0 0 0 0 0 0 0 0 0 0
12.9213 0.1811 -3.4708 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3630 -0.3119 -1.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9152 1.2947 -0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5283 0.7039 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4766 -0.3876 0.2761 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5081 -2.0211 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4523 -0.8867 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8975 -0.8267 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9219 -2.0916 0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3940 -2.5299 -2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0837 -4.6396 -2.1003 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9855 -3.4500 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0787 -4.0785 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6264 -2.6260 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6545 -0.5215 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4796 0.6006 0.2283 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0298 1.3473 0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6822 0.5054 3.2098 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0175 -0.2310 3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0806 -0.7042 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9717 -1.5559 2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5049 2.6612 2.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5802 1.8393 3.4875 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9994 1.7033 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8899 1.0383 0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5896 -0.4122 2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9581 2.3633 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1826 1.5557 3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0635 0.4179 4.2462 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 1.1858 1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8635 -1.2515 0.3192 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6737 1.3497 -2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8342 1.6099 0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7550 3.1484 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2660 3.9967 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0839 4.7024 -1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0929 5.3728 0.5921 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1076 6.0904 -1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4839 6.3087 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7069 4.6814 -2.2919 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4543 3.1890 -1.3006 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6410 3.2605 -2.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6684 2.9342 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2568 2.7709 1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7761 4.5179 2.1288 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4291 4.9783 0.9604 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1426 5.0593 -0.8581 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0085 3.8371 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.0058 4.1428 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.6031 5.3858 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3337 6.7409 1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2727 7.1600 0.0791 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4463 7.0281 0.0624 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2715 1.7576 1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8395 -0.4987 0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7722 0.9505 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0521 1.8102 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.8427 0.3383 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2777 -0.5150 -2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8606 -1.9349 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8115 -2.4545 -0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8478 -3.8779 -0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0532 -3.7786 -3.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1184 -1.5896 -3.1697 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8967 -2.6300 -4.5645 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.5100 -1.6062 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.5103 -4.3581 -3.9419 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.9462 -4.0865 -2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6924 -5.3580 -2.7232 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3387 -4.3550 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0414 -3.5451 0.9444 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2577 -4.3135 2.8561 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7315 -3.5969 1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5443 -5.2278 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4277 -5.0466 2.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0527 -5.7404 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5235 -5.9853 0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3269 -6.8043 3.2707 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7386 -7.0299 2.1011 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1770 -7.8317 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4047 0.5886 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 -1.9448 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8555 -1.9413 2.2366 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0580 -0.6706 3.4341 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
8 10 1 0
10 11 1 0
11 12 2 0
11 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
16 18 1 0
14 19 1 0
19 20 2 0
19 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
24 25 2 0
24 26 1 0
22 27 1 0
27 28 2 0
27 29 1 0
29 30 1 0
30 31 1 0
31 32 2 0
31 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
36 38 1 0
34 39 1 0
39 40 2 0
39 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
44 46 1 0
42 47 1 0
47 48 2 0
47 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
50 53 1 0
53 54 2 0
53 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
58 60 1 0
56 61 1 0
61 62 2 0
61 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
65 67 1 0
67 68 1 0
64 69 1 0
69 70 2 0
69 71 1 0
71 72 1 0
72 73 1 0
72 30 1 0
1 74 1 0
1 75 1 0
1 76 1 0
2 77 1 0
2 78 1 0
3 79 1 0
3 80 1 0
4 81 1 0
4 82 1 0
5 83 1 0
5 84 1 0
6 85 1 0
6 86 1 0
7 87 1 0
7 88 1 0
8 89 1 6
9 90 1 0
10 91 1 0
10 92 1 0
13 93 1 0
14 94 1 6
15 95 1 0
15 96 1 0
16 97 1 1
17 98 1 0
17 99 1 0
17100 1 0
18101 1 0
18102 1 0
18103 1 0
21104 1 0
22105 1 1
23106 1 0
23107 1 0
26108 1 0
29109 1 0
30110 1 6
33111 1 0
34112 1 1
35113 1 0
35114 1 0
36115 1 6
37116 1 0
37117 1 0
37118 1 0
38119 1 0
38120 1 0
38121 1 0
41122 1 0
42123 1 1
43124 1 0
43125 1 0
44126 1 6
45127 1 0
45128 1 0
45129 1 0
46130 1 0
46131 1 0
46132 1 0
49133 1 0
50134 1 1
51135 1 0
51136 1 0
52137 1 0
55138 1 0
56139 1 1
57140 1 0
57141 1 0
58142 1 6
59143 1 0
59144 1 0
59145 1 0
60146 1 0
60147 1 0
60148 1 0
63149 1 0
64150 1 6
65151 1 1
66152 1 0
66153 1 0
66154 1 0
67155 1 0
67156 1 0
68157 1 0
68158 1 0
68159 1 0
72160 1 1
73161 1 0
73162 1 0
73163 1 0
M END
PDB for NP0020849 (Bananamide F)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 15.614 0.461 -3.417 0.00 0.00 C+0 HETATM 2 C UNK 0 14.580 1.537 -3.369 0.00 0.00 C+0 HETATM 3 C UNK 0 13.281 0.973 -2.793 0.00 0.00 C+0 HETATM 4 C UNK 0 13.558 0.466 -1.418 0.00 0.00 C+0 HETATM 5 C UNK 0 12.322 -0.093 -0.778 0.00 0.00 C+0 HETATM 6 C UNK 0 11.713 -1.252 -1.569 0.00 0.00 C+0 HETATM 7 C UNK 0 10.521 -1.703 -0.781 0.00 0.00 C+0 HETATM 8 C UNK 0 9.764 -2.852 -1.415 0.00 0.00 C+0 HETATM 9 O UNK 0 10.578 -3.963 -1.580 0.00 0.00 O+0 HETATM 10 C UNK 0 8.569 -3.222 -0.515 0.00 0.00 C+0 HETATM 11 C UNK 0 7.665 -2.070 -0.397 0.00 0.00 C+0 HETATM 12 O UNK 0 7.754 -1.160 -1.297 0.00 0.00 O+0 HETATM 13 N UNK 0 6.718 -1.909 0.643 0.00 0.00 N+0 HETATM 14 C UNK 0 5.892 -0.740 0.646 0.00 0.00 C+0 HETATM 15 C UNK 0 6.710 0.503 1.018 0.00 0.00 C+0 HETATM 16 C UNK 0 7.364 0.475 2.333 0.00 0.00 C+0 HETATM 17 C UNK 0 8.367 -0.612 2.579 0.00 0.00 C+0 HETATM 18 C UNK 0 8.158 1.790 2.454 0.00 0.00 C+0 HETATM 19 C UNK 0 4.647 -0.817 1.397 0.00 0.00 C+0 HETATM 20 O UNK 0 4.347 -1.804 2.135 0.00 0.00 O+0 HETATM 21 N UNK 0 3.656 0.223 1.357 0.00 0.00 N+0 HETATM 22 C UNK 0 2.426 0.251 2.059 0.00 0.00 C+0 HETATM 23 C UNK 0 2.106 1.617 2.562 0.00 0.00 C+0 HETATM 24 C UNK 0 3.155 2.138 3.503 0.00 0.00 C+0 HETATM 25 O UNK 0 3.110 3.276 3.986 0.00 0.00 O+0 HETATM 26 O UNK 0 4.209 1.312 3.841 0.00 0.00 O+0 HETATM 27 C UNK 0 1.284 -0.363 1.284 0.00 0.00 C+0 HETATM 28 O UNK 0 1.521 -1.425 0.679 0.00 0.00 O+0 HETATM 29 N UNK 0 0.056 0.269 1.284 0.00 0.00 N+0 HETATM 30 C UNK 0 -1.164 -0.193 0.624 0.00 0.00 C+0 HETATM 31 C UNK 0 -1.393 0.573 -0.579 0.00 0.00 C+0 HETATM 32 O UNK 0 -0.417 0.518 -1.436 0.00 0.00 O+0 HETATM 33 N UNK 0 -2.459 1.361 -1.009 0.00 0.00 N+0 HETATM 34 C UNK 0 -3.366 2.185 -0.256 0.00 0.00 C+0 HETATM 35 C UNK 0 -2.718 3.435 0.173 0.00 0.00 C+0 HETATM 36 C UNK 0 -2.269 4.319 -0.936 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.658 5.620 -0.307 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.211 3.744 -1.853 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.574 2.521 -1.109 0.00 0.00 C+0 HETATM 40 O UNK 0 -4.416 2.534 -2.357 0.00 0.00 O+0 HETATM 41 N UNK 0 -5.859 2.821 -0.606 0.00 0.00 N+0 HETATM 42 C UNK 0 -6.229 3.010 0.748 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.397 4.501 1.083 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.441 5.155 0.227 0.00 0.00 C+0 HETATM 45 C UNK 0 -8.814 4.594 0.332 0.00 0.00 C+0 HETATM 46 C UNK 0 -7.397 6.655 0.494 0.00 0.00 C+0 HETATM 47 C UNK 0 -7.267 2.163 1.332 0.00 0.00 C+0 HETATM 48 O UNK 0 -7.104 2.041 2.629 0.00 0.00 O+0 HETATM 49 N UNK 0 -8.361 1.476 0.849 0.00 0.00 N+0 HETATM 50 C UNK 0 -8.684 0.515 -0.111 0.00 0.00 C+0 HETATM 51 C UNK 0 -10.147 0.816 -0.543 0.00 0.00 C+0 HETATM 52 O UNK 0 -10.603 -0.075 -1.481 0.00 0.00 O+0 HETATM 53 C UNK 0 -7.947 0.218 -1.299 0.00 0.00 C+0 HETATM 54 O UNK 0 -8.224 0.959 -2.301 0.00 0.00 O+0 HETATM 55 N UNK 0 -6.968 -0.751 -1.565 0.00 0.00 N+0 HETATM 56 C UNK 0 -6.766 -2.014 -0.929 0.00 0.00 C+0 HETATM 57 C UNK 0 -7.851 -2.982 -1.288 0.00 0.00 C+0 HETATM 58 C UNK 0 -8.020 -3.342 -2.711 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.359 -2.224 -3.658 0.00 0.00 C+0 HETATM 60 C UNK 0 -9.139 -4.381 -2.900 0.00 0.00 C+0 HETATM 61 C UNK 0 -5.401 -2.567 -1.226 0.00 0.00 C+0 HETATM 62 O UNK 0 -4.925 -2.155 -2.330 0.00 0.00 O+0 HETATM 63 N UNK 0 -4.642 -3.447 -0.449 0.00 0.00 N+0 HETATM 64 C UNK 0 -4.172 -3.360 0.905 0.00 0.00 C+0 HETATM 65 C UNK 0 -4.689 -4.421 1.814 0.00 0.00 C+0 HETATM 66 C UNK 0 -6.157 -4.513 2.002 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.139 -5.763 1.345 0.00 0.00 C+0 HETATM 68 C UNK 0 -4.637 -6.894 2.229 0.00 0.00 C+0 HETATM 69 C UNK 0 -4.248 -1.970 1.492 0.00 0.00 C+0 HETATM 70 O UNK 0 -5.233 -1.877 2.312 0.00 0.00 O+0 HETATM 71 O UNK 0 -3.414 -0.981 1.202 0.00 0.00 O+0 HETATM 72 C UNK 0 -2.267 -0.382 1.610 0.00 0.00 C+0 HETATM 73 C UNK 0 -1.629 -1.269 2.708 0.00 0.00 C+0 HETATM 74 H UNK 0 16.089 0.414 -2.409 0.00 0.00 H+0 HETATM 75 H UNK 0 15.160 -0.531 -3.591 0.00 0.00 H+0 HETATM 76 H UNK 0 16.369 0.723 -4.191 0.00 0.00 H+0 HETATM 77 H UNK 0 14.921 2.353 -2.704 0.00 0.00 H+0 HETATM 78 H UNK 0 14.367 1.931 -4.400 0.00 0.00 H+0 HETATM 79 H UNK 0 12.528 1.777 -2.776 0.00 0.00 H+0 HETATM 80 H UNK 0 12.921 0.181 -3.471 0.00 0.00 H+0 HETATM 81 H UNK 0 14.363 -0.312 -1.442 0.00 0.00 H+0 HETATM 82 H UNK 0 13.915 1.295 -0.746 0.00 0.00 H+0 HETATM 83 H UNK 0 11.528 0.704 -0.780 0.00 0.00 H+0 HETATM 84 H UNK 0 12.477 -0.388 0.276 0.00 0.00 H+0 HETATM 85 H UNK 0 12.508 -2.021 -1.612 0.00 0.00 H+0 HETATM 86 H UNK 0 11.452 -0.887 -2.570 0.00 0.00 H+0 HETATM 87 H UNK 0 9.898 -0.827 -0.563 0.00 0.00 H+0 HETATM 88 H UNK 0 10.922 -2.092 0.193 0.00 0.00 H+0 HETATM 89 H UNK 0 9.394 -2.530 -2.398 0.00 0.00 H+0 HETATM 90 H UNK 0 10.084 -4.640 -2.100 0.00 0.00 H+0 HETATM 91 H UNK 0 8.986 -3.450 0.478 0.00 0.00 H+0 HETATM 92 H UNK 0 8.079 -4.079 -1.005 0.00 0.00 H+0 HETATM 93 H UNK 0 6.626 -2.626 1.365 0.00 0.00 H+0 HETATM 94 H UNK 0 5.654 -0.522 -0.439 0.00 0.00 H+0 HETATM 95 H UNK 0 7.480 0.601 0.228 0.00 0.00 H+0 HETATM 96 H UNK 0 6.030 1.347 0.955 0.00 0.00 H+0 HETATM 97 H UNK 0 6.682 0.505 3.210 0.00 0.00 H+0 HETATM 98 H UNK 0 9.018 -0.231 3.433 0.00 0.00 H+0 HETATM 99 H UNK 0 9.081 -0.704 1.714 0.00 0.00 H+0 HETATM 100 H UNK 0 7.972 -1.556 2.945 0.00 0.00 H+0 HETATM 101 H UNK 0 7.505 2.661 2.261 0.00 0.00 H+0 HETATM 102 H UNK 0 8.580 1.839 3.487 0.00 0.00 H+0 HETATM 103 H UNK 0 8.999 1.703 1.747 0.00 0.00 H+0 HETATM 104 H UNK 0 3.890 1.038 0.736 0.00 0.00 H+0 HETATM 105 H UNK 0 2.590 -0.412 2.970 0.00 0.00 H+0 HETATM 106 H UNK 0 1.958 2.363 1.768 0.00 0.00 H+0 HETATM 107 H UNK 0 1.183 1.556 3.227 0.00 0.00 H+0 HETATM 108 H UNK 0 4.064 0.418 4.246 0.00 0.00 H+0 HETATM 109 H UNK 0 -0.077 1.186 1.778 0.00 0.00 H+0 HETATM 110 H UNK 0 -0.864 -1.252 0.319 0.00 0.00 H+0 HETATM 111 H UNK 0 -2.674 1.350 -2.068 0.00 0.00 H+0 HETATM 112 H UNK 0 -3.834 1.610 0.583 0.00 0.00 H+0 HETATM 113 H UNK 0 -1.755 3.148 0.733 0.00 0.00 H+0 HETATM 114 H UNK 0 -3.266 3.997 0.968 0.00 0.00 H+0 HETATM 115 H UNK 0 -3.084 4.702 -1.581 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.093 5.373 0.592 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.108 6.090 -1.120 0.00 0.00 H+0 HETATM 118 H UNK 0 -2.484 6.309 -0.012 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.707 4.681 -2.292 0.00 0.00 H+0 HETATM 120 H UNK 0 -0.454 3.189 -1.301 0.00 0.00 H+0 HETATM 121 H UNK 0 -1.641 3.260 -2.742 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.668 2.934 -1.304 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.257 2.771 1.320 0.00 0.00 H+0 HETATM 124 H UNK 0 -6.776 4.518 2.129 0.00 0.00 H+0 HETATM 125 H UNK 0 -5.429 4.978 0.960 0.00 0.00 H+0 HETATM 126 H UNK 0 -7.143 5.059 -0.858 0.00 0.00 H+0 HETATM 127 H UNK 0 -9.008 3.837 -0.452 0.00 0.00 H+0 HETATM 128 H UNK 0 -9.006 4.143 1.307 0.00 0.00 H+0 HETATM 129 H UNK 0 -9.603 5.386 0.137 0.00 0.00 H+0 HETATM 130 H UNK 0 -7.334 6.741 1.620 0.00 0.00 H+0 HETATM 131 H UNK 0 -8.273 7.160 0.079 0.00 0.00 H+0 HETATM 132 H UNK 0 -6.446 7.028 0.062 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.271 1.758 1.406 0.00 0.00 H+0 HETATM 134 H UNK 0 -8.839 -0.499 0.403 0.00 0.00 H+0 HETATM 135 H UNK 0 -10.772 0.951 0.339 0.00 0.00 H+0 HETATM 136 H UNK 0 -10.052 1.810 -1.064 0.00 0.00 H+0 HETATM 137 H UNK 0 -10.843 0.338 -2.345 0.00 0.00 H+0 HETATM 138 H UNK 0 -6.278 -0.515 -2.323 0.00 0.00 H+0 HETATM 139 H UNK 0 -6.861 -1.935 0.187 0.00 0.00 H+0 HETATM 140 H UNK 0 -8.812 -2.454 -0.983 0.00 0.00 H+0 HETATM 141 H UNK 0 -7.848 -3.878 -0.613 0.00 0.00 H+0 HETATM 142 H UNK 0 -7.053 -3.779 -3.122 0.00 0.00 H+0 HETATM 143 H UNK 0 -9.118 -1.590 -3.170 0.00 0.00 H+0 HETATM 144 H UNK 0 -8.897 -2.630 -4.564 0.00 0.00 H+0 HETATM 145 H UNK 0 -7.510 -1.606 -3.974 0.00 0.00 H+0 HETATM 146 H UNK 0 -9.510 -4.358 -3.942 0.00 0.00 H+0 HETATM 147 H UNK 0 -9.946 -4.087 -2.228 0.00 0.00 H+0 HETATM 148 H UNK 0 -8.692 -5.358 -2.723 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.339 -4.355 -0.934 0.00 0.00 H+0 HETATM 150 H UNK 0 -3.041 -3.545 0.944 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.258 -4.314 2.856 0.00 0.00 H+0 HETATM 152 H UNK 0 -6.731 -3.597 1.867 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.544 -5.228 1.215 0.00 0.00 H+0 HETATM 154 H UNK 0 -6.428 -5.047 2.959 0.00 0.00 H+0 HETATM 155 H UNK 0 -3.053 -5.740 1.303 0.00 0.00 H+0 HETATM 156 H UNK 0 -4.524 -5.985 0.322 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.327 -6.804 3.271 0.00 0.00 H+0 HETATM 158 H UNK 0 -5.739 -7.030 2.101 0.00 0.00 H+0 HETATM 159 H UNK 0 -4.177 -7.832 1.809 0.00 0.00 H+0 HETATM 160 H UNK 0 -2.405 0.589 2.155 0.00 0.00 H+0 HETATM 161 H UNK 0 -2.373 -1.945 3.155 0.00 0.00 H+0 HETATM 162 H UNK 0 -0.856 -1.941 2.237 0.00 0.00 H+0 HETATM 163 H UNK 0 -1.058 -0.671 3.434 0.00 0.00 H+0 CONECT 1 2 74 75 76 CONECT 2 1 3 77 78 CONECT 3 2 4 79 80 CONECT 4 3 5 81 82 CONECT 5 4 6 83 84 CONECT 6 5 7 85 86 CONECT 7 6 8 87 88 CONECT 8 7 9 10 89 CONECT 9 8 90 CONECT 10 8 11 91 92 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 93 CONECT 14 13 15 19 94 CONECT 15 14 16 95 96 CONECT 16 15 17 18 97 CONECT 17 16 98 99 100 CONECT 18 16 101 102 103 CONECT 19 14 20 21 CONECT 20 19 CONECT 21 19 22 104 CONECT 22 21 23 27 105 CONECT 23 22 24 106 107 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 108 CONECT 27 22 28 29 CONECT 28 27 CONECT 29 27 30 109 CONECT 30 29 31 72 110 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 111 CONECT 34 33 35 39 112 CONECT 35 34 36 113 114 CONECT 36 35 37 38 115 CONECT 37 36 116 117 118 CONECT 38 36 119 120 121 CONECT 39 34 40 41 CONECT 40 39 CONECT 41 39 42 122 CONECT 42 41 43 47 123 CONECT 43 42 44 124 125 CONECT 44 43 45 46 126 CONECT 45 44 127 128 129 CONECT 46 44 130 131 132 CONECT 47 42 48 49 CONECT 48 47 CONECT 49 47 50 133 CONECT 50 49 51 53 134 CONECT 51 50 52 135 136 CONECT 52 51 137 CONECT 53 50 54 55 CONECT 54 53 CONECT 55 53 56 138 CONECT 56 55 57 61 139 CONECT 57 56 58 140 141 CONECT 58 57 59 60 142 CONECT 59 58 143 144 145 CONECT 60 58 146 147 148 CONECT 61 56 62 63 CONECT 62 61 CONECT 63 61 64 149 CONECT 64 63 65 69 150 CONECT 65 64 66 67 151 CONECT 66 65 152 153 154 CONECT 67 65 68 155 156 CONECT 68 67 157 158 159 CONECT 69 64 70 71 CONECT 70 69 CONECT 71 69 72 CONECT 72 71 73 30 160 CONECT 73 72 161 162 163 CONECT 74 1 CONECT 75 1 CONECT 76 1 CONECT 77 2 CONECT 78 2 CONECT 79 3 CONECT 80 3 CONECT 81 4 CONECT 82 4 CONECT 83 5 CONECT 84 5 CONECT 85 6 CONECT 86 6 CONECT 87 7 CONECT 88 7 CONECT 89 8 CONECT 90 9 CONECT 91 10 CONECT 92 10 CONECT 93 13 CONECT 94 14 CONECT 95 15 CONECT 96 15 CONECT 97 16 CONECT 98 17 CONECT 99 17 CONECT 100 17 CONECT 101 18 CONECT 102 18 CONECT 103 18 CONECT 104 21 CONECT 105 22 CONECT 106 23 CONECT 107 23 CONECT 108 26 CONECT 109 29 CONECT 110 30 CONECT 111 33 CONECT 112 34 CONECT 113 35 CONECT 114 35 CONECT 115 36 CONECT 116 37 CONECT 117 37 CONECT 118 37 CONECT 119 38 CONECT 120 38 CONECT 121 38 CONECT 122 41 CONECT 123 42 CONECT 124 43 CONECT 125 43 CONECT 126 44 CONECT 127 45 CONECT 128 45 CONECT 129 45 CONECT 130 46 CONECT 131 46 CONECT 132 46 CONECT 133 49 CONECT 134 50 CONECT 135 51 CONECT 136 51 CONECT 137 52 CONECT 138 55 CONECT 139 56 CONECT 140 57 CONECT 141 57 CONECT 142 58 CONECT 143 59 CONECT 144 59 CONECT 145 59 CONECT 146 60 CONECT 147 60 CONECT 148 60 CONECT 149 63 CONECT 150 64 CONECT 151 65 CONECT 152 66 CONECT 153 66 CONECT 154 66 CONECT 155 67 CONECT 156 67 CONECT 157 68 CONECT 158 68 CONECT 159 68 CONECT 160 72 CONECT 161 73 CONECT 162 73 CONECT 163 73 MASTER 0 0 0 0 0 0 0 0 163 0 326 0 END SMILES for NP0020849 (Bananamide F)[H]OC(=O)C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])[C@]([H])(O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@]1([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)O[C@@]1([H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0020849 (Bananamide F)InChI=1S/C51H90N8O14/c1-13-15-16-17-18-19-33(61)24-40(62)52-34(20-27(3)4)44(65)55-38(25-41(63)64)48(69)59-43-32(12)73-51(72)42(31(11)14-2)58-47(68)37(23-30(9)10)54-49(70)39(26-60)57-46(67)35(21-28(5)6)53-45(66)36(22-29(7)8)56-50(43)71/h27-39,42-43,60-61H,13-26H2,1-12H3,(H,52,62)(H,53,66)(H,54,70)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,63,64)/t31-,32-,33+,34+,35-,36-,37-,38-,39-,42+,43-/m0/s1 3D Structure for NP0020849 (Bananamide F) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C51H90N8O14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1039.3230 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1038.65765 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3S)-3-{[(3R,6S,9S,12S,15S,18S,19S)-3-[(2S)-butan-2-yl]-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-3-[(2R)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3S)-3-{[(3R,6S,9S,12S,15S,18S,19S)-3-[(2S)-butan-2-yl]-9-(hydroxymethyl)-19-methyl-6,12,15-tris(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl]carbamoyl}-3-[(2R)-2-[(3R)-3-hydroxydecanamido]-4-methylpentanamido]propanoic acid | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CC(O)=O)C(=O)NC1C(C)OC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC1=O)C(C)CC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C51H90N8O14/c1-13-15-16-17-18-19-33(61)24-40(62)52-34(20-27(3)4)44(65)55-38(25-41(63)64)48(69)59-43-32(12)73-51(72)42(31(11)14-2)58-47(68)37(23-30(9)10)54-49(70)39(26-60)57-46(67)35(21-28(5)6)53-45(66)36(22-29(7)8)56-50(43)71/h27-39,42-43,60-61H,13-26H2,1-12H3,(H,52,62)(H,53,66)(H,54,70)(H,55,65)(H,56,71)(H,57,67)(H,58,68)(H,59,69)(H,63,64) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | UTOABZPUTYPEOH-UHFFFAOYSA-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 | NPA026208 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 146682667 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
