Showing NP-Card for Culicinin C (NP0006389)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 03:25:07 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:54:39 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0006389 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Culicinin C | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Culicinin C belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Culicinin C is found in Culicinomyces and Culicinomyces clavisporus LL-12I252. Based on a literature review very few articles have been published on Culicinin C. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0006389 (Culicinin C)
Mrv1652307012119053D
199199 0 0 0 0 999 V2000
-4.8734 -7.5684 4.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4455 -6.9847 5.9561 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8159 -5.5246 5.7582 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5529 -4.7723 5.3693 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8994 -3.3256 5.1695 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6832 -2.5114 4.7684 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1009 -1.0526 4.7148 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6089 -0.7115 6.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9938 -0.1479 4.3686 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2788 -0.1511 3.0918 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2039 0.8687 3.2750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1854 2.0196 2.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 2.1781 1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1420 3.0714 2.6798 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0089 2.4170 3.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 4.0811 3.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3831 3.6657 1.5135 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 4.3629 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 4.5637 0.4556 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5915 4.8422 -0.6356 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6318 5.8217 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 5.2629 -1.8233 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 4.3762 -2.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9804 3.1950 -1.9364 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6346 4.4726 -3.7829 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5110 5.6156 -4.7076 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0887 5.8178 -5.2061 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0473 6.8977 -6.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6263 4.5844 -5.5706 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0357 4.7494 -6.0789 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1823 5.4652 -7.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7983 3.4603 -5.9809 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9395 2.9963 -4.5783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 3.7522 -3.6793 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4391 1.6491 -4.2655 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4969 1.4896 -2.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0043 4.0278 -3.6569 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5117 2.8247 -4.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7557 2.1241 -4.9577 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9287 2.4731 -4.0624 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2209 2.1096 -2.6208 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0791 0.8588 -2.7009 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.5583 0.1888 -3.9544 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3693 1.3498 -4.8280 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6221 1.2916 -6.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0345 0.2169 -6.7319 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.4164 2.4486 -7.1278 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9539 2.1288 -8.4942 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2295 0.9463 -9.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7582 -1.3564 2.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -1.9083 2.9429 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3885 -1.9682 1.3644 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 -3.1507 0.6994 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9937 -3.8106 -0.1523 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2462 -4.3320 0.4124 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0791 -3.2946 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 -5.6094 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 -2.8574 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2892 -1.7064 -0.2909 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1958 -3.9340 -0.9047 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9400 -3.8215 -1.7847 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6860 -2.8540 -2.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2111 -5.2269 -2.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1784 -3.4994 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0725 -3.5561 0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3742 -3.1472 -1.6085 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6132 -2.8082 -1.0573 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5835 -1.9775 -1.7686 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1214 -2.4491 -3.0682 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8334 -3.7771 -2.8908 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 -2.3891 -4.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6492 -2.5972 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2477 -3.5051 1.2061 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1136 -1.4128 1.0472 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1576 -1.3092 2.4778 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4489 0.1011 2.9313 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6190 0.0799 4.4046 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3594 -0.8364 4.9308 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0392 0.9758 5.3049 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2212 1.0088 6.7403 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0811 2.3996 7.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1926 0.1277 7.4288 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2146 0.0655 8.8059 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -0.5459 9.5922 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5400 0.0764 9.7209 C 0 0 1 0 0 0 0 0 0 0 0 0
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-3.8285 -7.2788 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9580 -8.6747 4.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4604 -7.1283 3.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2631 -7.6006 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6040 -7.0627 6.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6400 -5.3850 5.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1810 -5.1738 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9023 -4.8397 6.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9616 -5.2521 4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6911 -3.1605 4.4187 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2820 -2.9069 6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2175 -2.8710 3.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9012 -2.6274 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0022 -0.9321 4.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2263 0.3013 6.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1503 -1.4335 6.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6947 -0.7912 6.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4537 0.9140 4.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2863 -0.1011 5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9753 0.3211 2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 0.6509 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9722 2.9184 3.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8522 2.4718 4.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1377 1.3641 3.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 3.8143 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8680 4.0580 3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3695 5.1120 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4628 3.5647 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 3.8779 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3862 5.4018 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1889 6.1204 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1748 6.7519 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0082 6.2444 -2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1883 3.5277 -4.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 5.4381 -5.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8567 6.5427 -4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 6.2565 -4.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7319 7.7137 -5.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9803 7.2685 -6.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4729 6.4882 -7.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 3.8732 -4.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0604 4.0234 -6.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5298 5.3931 -5.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5983 5.0610 -7.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 2.6361 -6.5525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 3.6566 -6.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7039 0.8669 -4.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4050 1.4057 -4.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3899 0.4280 -2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5711 2.0100 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4184 1.9773 -2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6416 4.6099 -3.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5272 3.4033 -4.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3036 1.9148 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8487 2.9000 -2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1546 1.0619 -2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8861 0.2457 -1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.2209 -0.5606 -4.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8962 3.3878 -6.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 2.6883 -7.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
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-4.8720 -4.6567 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2373 -6.1624 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.3268 -3.1346 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1640 -3.8848 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2825 -0.9103 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4996 -1.8964 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9662 -1.7216 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1187 -4.5803 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4246 -3.9745 -3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5566 -3.6347 -2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7819 -3.3703 -4.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4636 -1.5944 -4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7993 -2.0694 -5.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4202 -0.6195 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1854 -1.6346 2.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9219 -1.9780 2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6444 0.8062 2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3858 0.4843 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3837 1.7065 4.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2386 0.5577 6.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9010 3.0521 6.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0795 2.4807 8.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1229 2.8675 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 0.3259 7.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3808 -0.9290 6.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3034 0.1486 9.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7848 -0.5830 10.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3046 -1.6566 9.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 0.1114 8.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4662 1.0662 10.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9083 -0.1318 11.1744 H 0 0 0 0 0 0 0 0 0 0 0 0
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86199 1 0 0 0 0
M END
3D MOL for NP0006389 (Culicinin C)
RDKit 3D
199199 0 0 0 0 0 0 0 0999 V2000
-4.8734 -7.5684 4.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4455 -6.9847 5.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9395 2.9963 -4.5783 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4489 0.1011 2.9313 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6190 0.0799 4.4046 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3594 -0.8364 4.9308 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0392 0.9758 5.3049 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2212 1.0088 6.7403 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0811 2.3996 7.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1926 0.1277 7.4288 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2146 0.0655 8.8059 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -0.5459 9.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5400 0.0764 9.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3428 -0.7273 10.6035 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.6540 -1.8307 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
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1.4403 -2.9524 -3.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1432 -5.2591 -2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2415 -5.9221 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 -5.4951 -2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3268 -3.1346 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1640 -3.8848 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2825 -0.9103 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4996 -1.8964 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
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6.3858 0.4843 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
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5.0795 2.4807 8.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1229 2.8675 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 0.3259 7.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.3034 0.1486 9.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7848 -0.5830 10.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3046 -1.6566 9.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 0.1114 8.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4662 1.0662 10.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9083 -0.1318 11.1744 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
7 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 2 0
14 12 1 6
14 15 1 0
14 16 1 0
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17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
20 22 1 0
22 23 1 0
23 24 2 0
23 25 1 0
25 26 1 0
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27 29 1 0
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35 36 1 0
25 37 1 0
37 38 1 0
38 39 2 0
38 40 1 0
40 41 1 0
41 42 1 0
42 43 1 0
43 44 1 0
44 45 1 0
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45 47 1 0
47 48 1 0
48 49 1 0
10 50 1 0
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50 52 1 0
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55 56 1 0
55 57 1 0
53 58 1 0
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58 60 1 0
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61 62 1 0
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64 66 1 0
66 67 1 0
67 68 1 0
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44 40 1 0
1 87 1 0
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8101 1 0
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10106 1 6
11107 1 0
15108 1 0
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16111 1 0
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17114 1 0
20115 1 6
21116 1 0
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22119 1 0
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26121 1 0
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27123 1 1
28124 1 0
28125 1 0
28126 1 0
29127 1 0
29128 1 0
30129 1 1
31130 1 0
32131 1 0
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35133 1 0
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36135 1 0
36136 1 0
36137 1 0
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40139 1 6
41140 1 0
41141 1 0
42142 1 0
42143 1 0
43144 1 0
43145 1 0
47146 1 0
47147 1 0
48148 1 0
48149 1 0
49150 1 0
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52153 1 0
53154 1 1
54155 1 0
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56158 1 0
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60164 1 0
62165 1 0
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63168 1 0
63169 1 0
63170 1 0
66171 1 0
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70176 1 0
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81191 1 0
82192 1 0
82193 1 0
83194 1 0
84195 1 0
84196 1 0
85197 1 0
85198 1 0
86199 1 0
M END
3D SDF for NP0006389 (Culicinin C)
Mrv1652307012119053D
199199 0 0 0 0 999 V2000
-4.8734 -7.5684 4.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4455 -6.9847 5.9561 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.8159 -5.5246 5.7582 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.5529 -4.7723 5.3693 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8994 -3.3256 5.1695 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.6832 -2.5114 4.7684 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.1009 -1.0526 4.7148 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6089 -0.7115 6.1413 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9938 -0.1479 4.3686 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.2788 -0.1511 3.0918 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2039 0.8687 3.2750 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1854 2.0196 2.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0254 2.1781 1.5620 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1420 3.0714 2.6798 C 0 0 2 0 0 0 0 0 0 0 0 0
1.0089 2.4170 3.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7620 4.0811 3.6289 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3831 3.6657 1.5135 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2664 4.3629 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4769 4.5637 0.4556 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5915 4.8422 -0.6356 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6318 5.8217 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1028 5.2629 -1.8233 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9102 4.3762 -2.5602 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9804 3.1950 -1.9364 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6346 4.4726 -3.7829 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5110 5.6156 -4.7076 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0887 5.8178 -5.2061 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0473 6.8977 -6.2183 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6263 4.5844 -5.5706 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0357 4.7494 -6.0789 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1823 5.4652 -7.2306 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7983 3.4603 -5.9809 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9395 2.9963 -4.5783 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6340 3.7522 -3.6793 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4391 1.6491 -4.2655 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4969 1.4896 -2.7262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0043 4.0278 -3.6569 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5117 2.8247 -4.2739 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7557 2.1241 -4.9577 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9287 2.4731 -4.0624 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2209 2.1096 -2.6208 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.0791 0.8588 -2.7009 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.5583 0.1888 -3.9544 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.3693 1.3498 -4.8280 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.6221 1.2916 -6.2292 C 0 0 0 0 0 0 0 0 0 0 0 0
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-5.4164 2.4486 -7.1278 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.9539 2.1288 -8.4942 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2295 0.9463 -9.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7582 -1.3564 2.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7356 -1.9083 2.9429 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3885 -1.9682 1.3644 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9794 -3.1507 0.6994 C 0 0 1 0 0 0 0 0 0 0 0 0
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-4.2462 -4.3320 0.4124 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.0791 -3.2946 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0916 -5.6094 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7611 -2.8574 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9400 -3.8215 -1.7847 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6860 -2.8540 -2.8932 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2111 -5.2269 -2.3675 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1784 -3.4994 -0.9805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0725 -3.5561 0.2578 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3742 -3.1472 -1.6085 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6132 -2.8082 -1.0573 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5835 -1.9775 -1.7686 C 0 0 1 0 0 0 0 0 0 0 0 0
6.1214 -2.4491 -3.0682 C 0 0 1 0 0 0 0 0 0 0 0 0
6.8334 -3.7771 -2.8908 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2016 -2.3891 -4.2345 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6492 -2.5972 0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2477 -3.5051 1.2061 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1136 -1.4128 1.0472 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1576 -1.3092 2.4778 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4489 0.1011 2.9313 C 0 0 2 0 0 0 0 0 0 0 0 0
5.6190 0.0799 4.4046 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3594 -0.8364 4.9308 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0392 0.9758 5.3049 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2212 1.0088 6.7403 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0811 2.3996 7.2436 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1926 0.1277 7.4288 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2146 0.0655 8.8059 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1811 -0.5459 9.5922 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5400 0.0764 9.7209 C 0 0 1 0 0 0 0 0 0 0 0 0
7.3428 -0.7273 10.6035 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8285 -7.2788 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9580 -8.6747 4.7039 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4604 -7.1283 3.8283 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2631 -7.6006 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6040 -7.0627 6.7091 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6400 -5.3850 5.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1810 -5.1738 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9023 -4.8397 6.3099 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9616 -5.2521 4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
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-5.2820 -2.9069 6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2175 -2.8710 3.8415 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9012 -2.6274 5.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0022 -0.9321 4.0577 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2263 0.3013 6.4311 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1503 -1.4335 6.8245 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6947 -0.7912 6.1736 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4537 0.9140 4.4383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2863 -0.1011 5.2590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9753 0.3211 2.3122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5212 0.6509 4.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9722 2.9184 3.1698 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8522 2.4718 4.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1377 1.3641 3.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4325 3.8143 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8680 4.0580 3.6332 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3695 5.1120 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4628 3.5647 1.4074 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1396 3.8779 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3862 5.4018 0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1889 6.1204 -1.1699 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1748 6.7519 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0082 6.2444 -2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1883 3.5277 -4.3886 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1577 5.4381 -5.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8567 6.5427 -4.2302 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5240 6.2565 -4.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7319 7.7137 -5.9048 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9803 7.2685 -6.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4729 6.4882 -7.1814 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6962 3.8732 -4.7167 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0604 4.0234 -6.3833 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5298 5.3931 -5.2415 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5983 5.0610 -7.9389 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3081 2.6361 -6.5525 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8145 3.6566 -6.3843 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7039 0.8669 -4.5827 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4050 1.4057 -4.6981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3899 0.4280 -2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5711 2.0100 -2.3737 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4184 1.9773 -2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6416 4.6099 -3.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5272 3.4033 -4.3209 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3036 1.9148 -2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8487 2.9000 -2.1879 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1546 1.0619 -2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8861 0.2457 -1.8097 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5398 -0.2207 -3.7764 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2209 -0.5606 -4.3753 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8962 3.3878 -6.7419 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3256 2.6883 -7.1726 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9529 3.0196 -9.1827 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0353 1.8058 -8.4273 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0488 1.2193 -10.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2316 0.8382 -8.5838 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7651 -0.0147 -9.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2356 -1.4530 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5363 -3.8558 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5170 -4.6703 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3050 -3.1353 -1.0143 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8720 -4.6567 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1623 -3.6755 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2161 -2.4198 0.4039 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7060 -2.9766 2.0499 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0219 -6.2294 1.0511 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0611 -5.3847 2.2771 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2373 -6.1624 0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6097 -4.8804 -0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6540 -1.8307 -2.4553 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2796 -3.1309 -3.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4403 -2.9524 -3.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1432 -5.2591 -2.9448 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2415 -5.9221 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3305 -5.4951 -2.9631 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3268 -3.1346 -2.6991 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1640 -3.8848 -1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2825 -0.9103 -1.8905 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4996 -1.8964 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9662 -1.7216 -3.3097 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1187 -4.5803 -2.6862 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4246 -3.9745 -3.8334 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5566 -3.6347 -2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7819 -3.3703 -4.5494 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4636 -1.5944 -4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7993 -2.0694 -5.1464 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4202 -0.6195 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1854 -1.6346 2.9351 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9219 -1.9780 2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6444 0.8062 2.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3858 0.4843 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3837 1.7065 4.8889 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2386 0.5577 6.8928 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9010 3.0521 6.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0795 2.4807 8.3491 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1229 2.8675 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1555 0.3259 7.0293 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3808 -0.9290 6.9981 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3034 0.1486 9.3056 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7848 -0.5830 10.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3046 -1.6566 9.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1409 0.1114 8.8070 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4662 1.0662 10.2482 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9083 -0.1318 11.1744 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
7 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 2 0 0 0 0
14 12 1 6 0 0 0
14 15 1 0 0 0 0
14 16 1 0 0 0 0
14 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
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20 21 1 0 0 0 0
20 22 1 0 0 0 0
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27 28 1 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
30 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
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35 36 1 0 0 0 0
25 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
38 40 1 0 0 0 0
40 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
45 46 2 0 0 0 0
45 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
10 50 1 0 0 0 0
50 51 2 0 0 0 0
50 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
54 55 1 0 0 0 0
55 56 1 0 0 0 0
55 57 1 0 0 0 0
53 58 1 0 0 0 0
58 59 2 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
61 63 1 0 0 0 0
61 64 1 1 0 0 0
64 65 2 0 0 0 0
64 66 1 0 0 0 0
66 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 1 0 0 0 0
69 71 1 0 0 0 0
67 72 1 0 0 0 0
72 73 2 0 0 0 0
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74 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 1 0 0 0 0
77 78 2 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
80 81 1 0 0 0 0
80 82 1 0 0 0 0
82 83 1 0 0 0 0
83 84 1 0 0 0 0
84 85 1 0 0 0 0
85 86 1 0 0 0 0
44 40 1 0 0 0 0
1 87 1 0 0 0 0
1 88 1 0 0 0 0
1 89 1 0 0 0 0
2 90 1 0 0 0 0
2 91 1 0 0 0 0
3 92 1 0 0 0 0
3 93 1 0 0 0 0
4 94 1 0 0 0 0
4 95 1 0 0 0 0
5 96 1 0 0 0 0
5 97 1 0 0 0 0
6 98 1 0 0 0 0
6 99 1 0 0 0 0
7100 1 6 0 0 0
8101 1 0 0 0 0
8102 1 0 0 0 0
8103 1 0 0 0 0
9104 1 0 0 0 0
9105 1 0 0 0 0
10106 1 6 0 0 0
11107 1 0 0 0 0
15108 1 0 0 0 0
15109 1 0 0 0 0
15110 1 0 0 0 0
16111 1 0 0 0 0
16112 1 0 0 0 0
16113 1 0 0 0 0
17114 1 0 0 0 0
20115 1 6 0 0 0
21116 1 0 0 0 0
21117 1 0 0 0 0
21118 1 0 0 0 0
22119 1 0 0 0 0
25120 1 6 0 0 0
26121 1 0 0 0 0
26122 1 0 0 0 0
27123 1 1 0 0 0
28124 1 0 0 0 0
28125 1 0 0 0 0
28126 1 0 0 0 0
29127 1 0 0 0 0
29128 1 0 0 0 0
30129 1 1 0 0 0
31130 1 0 0 0 0
32131 1 0 0 0 0
32132 1 0 0 0 0
35133 1 0 0 0 0
35134 1 0 0 0 0
36135 1 0 0 0 0
36136 1 0 0 0 0
36137 1 0 0 0 0
37138 1 0 0 0 0
40139 1 6 0 0 0
41140 1 0 0 0 0
41141 1 0 0 0 0
42142 1 0 0 0 0
42143 1 0 0 0 0
43144 1 0 0 0 0
43145 1 0 0 0 0
47146 1 0 0 0 0
47147 1 0 0 0 0
48148 1 0 0 0 0
48149 1 0 0 0 0
49150 1 0 0 0 0
49151 1 0 0 0 0
49152 1 0 0 0 0
52153 1 0 0 0 0
53154 1 1 0 0 0
54155 1 0 0 0 0
54156 1 0 0 0 0
55157 1 6 0 0 0
56158 1 0 0 0 0
56159 1 0 0 0 0
56160 1 0 0 0 0
57161 1 0 0 0 0
57162 1 0 0 0 0
57163 1 0 0 0 0
60164 1 0 0 0 0
62165 1 0 0 0 0
62166 1 0 0 0 0
62167 1 0 0 0 0
63168 1 0 0 0 0
63169 1 0 0 0 0
63170 1 0 0 0 0
66171 1 0 0 0 0
67172 1 1 0 0 0
68173 1 0 0 0 0
68174 1 0 0 0 0
69175 1 6 0 0 0
70176 1 0 0 0 0
70177 1 0 0 0 0
70178 1 0 0 0 0
71179 1 0 0 0 0
71180 1 0 0 0 0
71181 1 0 0 0 0
74182 1 0 0 0 0
75183 1 0 0 0 0
75184 1 0 0 0 0
76185 1 0 0 0 0
76186 1 0 0 0 0
79187 1 0 0 0 0
80188 1 6 0 0 0
81189 1 0 0 0 0
81190 1 0 0 0 0
81191 1 0 0 0 0
82192 1 0 0 0 0
82193 1 0 0 0 0
83194 1 0 0 0 0
84195 1 0 0 0 0
84196 1 0 0 0 0
85197 1 0 0 0 0
85198 1 0 0 0 0
86199 1 0 0 0 0
M END
> <DATABASE_ID>
NP0006389
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])C([H])([H])N([H])C([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([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([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C62H113N11O13/c1-16-19-20-21-24-40(8)34-49(56(82)67-47(32-39(6)7)57(83)72-62(14,15)60(86)69-46(31-38(4)5)54(80)64-27-26-51(77)65-42(10)37-63-28-30-74)70-59(85)61(12,13)71-53(79)43(11)66-55(81)48(35-41(9)33-45(76)36-44(75)18-3)68-58(84)50-25-22-29-73(50)52(78)23-17-2/h38-43,45-50,63,74,76H,16-37H2,1-15H3,(H,64,80)(H,65,77)(H,66,81)(H,67,82)(H,68,84)(H,69,86)(H,70,85)(H,71,79)(H,72,83)/t40-,41-,42+,43+,45+,46+,47+,48+,49-,50+/m1/s1
> <INCHI_KEY>
IIKPZFDORRGEBZ-GLXLDMGXSA-N
> <FORMULA>
C62H113N11O13
> <MOLECULAR_WEIGHT>
1220.65
> <EXACT_MASS>
1219.851932743
> <JCHEM_ACCEPTOR_COUNT>
14
> <JCHEM_ATOM_COUNT>
199
> <JCHEM_AVERAGE_POLARIZABILITY>
138.1442025008621
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
12
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,4S,6S)-2-{[(2S)-1-butanoylpyrrolidin-2-yl]formamido}-6-hydroxy-N-[(1S)-1-[(1-{[(1R,3R)-1-{[(1S)-1-{[1-({1-[(2-{[(2S)-1-[(2-hydroxyethyl)amino]propan-2-yl]carbamoyl}ethyl)carbamoyl]-3-methylbutyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylnonyl]carbamoyl}-1-methylethyl)carbamoyl]ethyl]-4-methyl-8-oxodecanamide
> <ALOGPS_LOGP>
3.13
> <JCHEM_LOGP>
2.730435197999998
> <ALOGPS_LOGS>
-5.06
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
1
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
12.027752227153426
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.602143231547297
> <JCHEM_PKA_STRONGEST_BASIC>
9.181793616115808
> <JCHEM_POLAR_SURFACE_AREA>
351.7699999999999
> <JCHEM_REFRACTIVITY>
327.88510000000014
> <JCHEM_ROTATABLE_BOND_COUNT>
43
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
1.07e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,4S,6S)-2-{[(2S)-1-butanoylpyrrolidin-2-yl]formamido}-6-hydroxy-N-[(1S)-1-[(1-{[(1R,3R)-1-{[(1S)-1-{[1-({1-[(2-{[(2S)-1-[(2-hydroxyethyl)amino]propan-2-yl]carbamoyl}ethyl)carbamoyl]-3-methylbutyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylnonyl]carbamoyl}-1-methylethyl)carbamoyl]ethyl]-4-methyl-8-oxodecanamide
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0006389 (Culicinin C)
RDKit 3D
199199 0 0 0 0 0 0 0 0999 V2000
-4.8734 -7.5684 4.6806 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4455 -6.9847 5.9561 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0006389 (Culicinin C)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 -4.873 -7.568 4.681 0.00 0.00 C+0 HETATM 2 C UNK 0 -5.446 -6.985 5.956 0.00 0.00 C+0 HETATM 3 C UNK 0 -5.816 -5.525 5.758 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.553 -4.772 5.369 0.00 0.00 C+0 HETATM 5 C UNK 0 -4.899 -3.326 5.170 0.00 0.00 C+0 HETATM 6 C UNK 0 -3.683 -2.511 4.768 0.00 0.00 C+0 HETATM 7 C UNK 0 -4.101 -1.053 4.715 0.00 0.00 C+0 HETATM 8 C UNK 0 -4.609 -0.712 6.141 0.00 0.00 C+0 HETATM 9 C UNK 0 -2.994 -0.148 4.369 0.00 0.00 C+0 HETATM 10 C UNK 0 -2.279 -0.151 3.092 0.00 0.00 C+0 HETATM 11 N UNK 0 -1.204 0.869 3.275 0.00 0.00 N+0 HETATM 12 C UNK 0 -1.185 2.020 2.461 0.00 0.00 C+0 HETATM 13 O UNK 0 -2.025 2.178 1.562 0.00 0.00 O+0 HETATM 14 C UNK 0 -0.142 3.071 2.680 0.00 0.00 C+0 HETATM 15 C UNK 0 1.009 2.417 3.458 0.00 0.00 C+0 HETATM 16 C UNK 0 -0.762 4.081 3.629 0.00 0.00 C+0 HETATM 17 N UNK 0 0.383 3.666 1.514 0.00 0.00 N+0 HETATM 18 C UNK 0 -0.266 4.363 0.473 0.00 0.00 C+0 HETATM 19 O UNK 0 -1.477 4.564 0.456 0.00 0.00 O+0 HETATM 20 C UNK 0 0.592 4.842 -0.636 0.00 0.00 C+0 HETATM 21 C UNK 0 1.632 5.822 -0.254 0.00 0.00 C+0 HETATM 22 N UNK 0 -0.103 5.263 -1.823 0.00 0.00 N+0 HETATM 23 C UNK 0 -0.910 4.376 -2.560 0.00 0.00 C+0 HETATM 24 O UNK 0 -0.980 3.195 -1.936 0.00 0.00 O+0 HETATM 25 C UNK 0 -1.635 4.473 -3.783 0.00 0.00 C+0 HETATM 26 C UNK 0 -1.511 5.616 -4.708 0.00 0.00 C+0 HETATM 27 C UNK 0 -0.089 5.818 -5.206 0.00 0.00 C+0 HETATM 28 C UNK 0 -0.047 6.898 -6.218 0.00 0.00 C+0 HETATM 29 C UNK 0 0.626 4.584 -5.571 0.00 0.00 C+0 HETATM 30 C UNK 0 2.036 4.749 -6.079 0.00 0.00 C+0 HETATM 31 O UNK 0 2.182 5.465 -7.231 0.00 0.00 O+0 HETATM 32 C UNK 0 2.798 3.460 -5.981 0.00 0.00 C+0 HETATM 33 C UNK 0 2.939 2.996 -4.578 0.00 0.00 C+0 HETATM 34 O UNK 0 2.634 3.752 -3.679 0.00 0.00 O+0 HETATM 35 C UNK 0 3.439 1.649 -4.266 0.00 0.00 C+0 HETATM 36 C UNK 0 3.497 1.490 -2.726 0.00 0.00 C+0 HETATM 37 N UNK 0 -3.004 4.028 -3.657 0.00 0.00 N+0 HETATM 38 C UNK 0 -3.512 2.825 -4.274 0.00 0.00 C+0 HETATM 39 O UNK 0 -2.756 2.124 -4.958 0.00 0.00 O+0 HETATM 40 C UNK 0 -4.929 2.473 -4.062 0.00 0.00 C+0 HETATM 41 C UNK 0 -5.221 2.110 -2.621 0.00 0.00 C+0 HETATM 42 C UNK 0 -6.079 0.859 -2.701 0.00 0.00 C+0 HETATM 43 C UNK 0 -5.558 0.189 -3.954 0.00 0.00 C+0 HETATM 44 N UNK 0 -5.369 1.350 -4.828 0.00 0.00 N+0 HETATM 45 C UNK 0 -5.622 1.292 -6.229 0.00 0.00 C+0 HETATM 46 O UNK 0 -6.035 0.217 -6.732 0.00 0.00 O+0 HETATM 47 C UNK 0 -5.416 2.449 -7.128 0.00 0.00 C+0 HETATM 48 C UNK 0 -5.954 2.129 -8.494 0.00 0.00 C+0 HETATM 49 C UNK 0 -5.229 0.946 -9.085 0.00 0.00 C+0 HETATM 50 C UNK 0 -1.758 -1.356 2.501 0.00 0.00 C+0 HETATM 51 O UNK 0 -0.736 -1.908 2.943 0.00 0.00 O+0 HETATM 52 N UNK 0 -2.389 -1.968 1.364 0.00 0.00 N+0 HETATM 53 C UNK 0 -1.979 -3.151 0.699 0.00 0.00 C+0 HETATM 54 C UNK 0 -2.994 -3.811 -0.152 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.246 -4.332 0.412 0.00 0.00 C+0 HETATM 56 C UNK 0 -5.079 -3.295 1.074 0.00 0.00 C+0 HETATM 57 C UNK 0 -4.092 -5.609 1.214 0.00 0.00 C+0 HETATM 58 C UNK 0 -0.761 -2.857 -0.195 0.00 0.00 C+0 HETATM 59 O UNK 0 -0.289 -1.706 -0.291 0.00 0.00 O+0 HETATM 60 N UNK 0 -0.196 -3.934 -0.905 0.00 0.00 N+0 HETATM 61 C UNK 0 0.940 -3.821 -1.785 0.00 0.00 C+0 HETATM 62 C UNK 0 0.686 -2.854 -2.893 0.00 0.00 C+0 HETATM 63 C UNK 0 1.211 -5.227 -2.368 0.00 0.00 C+0 HETATM 64 C UNK 0 2.178 -3.499 -0.981 0.00 0.00 C+0 HETATM 65 O UNK 0 2.072 -3.556 0.258 0.00 0.00 O+0 HETATM 66 N UNK 0 3.374 -3.147 -1.609 0.00 0.00 N+0 HETATM 67 C UNK 0 4.613 -2.808 -1.057 0.00 0.00 C+0 HETATM 68 C UNK 0 5.583 -1.978 -1.769 0.00 0.00 C+0 HETATM 69 C UNK 0 6.121 -2.449 -3.068 0.00 0.00 C+0 HETATM 70 C UNK 0 6.833 -3.777 -2.891 0.00 0.00 C+0 HETATM 71 C UNK 0 5.202 -2.389 -4.234 0.00 0.00 C+0 HETATM 72 C UNK 0 4.649 -2.597 0.434 0.00 0.00 C+0 HETATM 73 O UNK 0 4.248 -3.505 1.206 0.00 0.00 O+0 HETATM 74 N UNK 0 5.114 -1.413 1.047 0.00 0.00 N+0 HETATM 75 C UNK 0 5.158 -1.309 2.478 0.00 0.00 C+0 HETATM 76 C UNK 0 5.449 0.101 2.931 0.00 0.00 C+0 HETATM 77 C UNK 0 5.619 0.080 4.405 0.00 0.00 C+0 HETATM 78 O UNK 0 6.359 -0.836 4.931 0.00 0.00 O+0 HETATM 79 N UNK 0 5.039 0.976 5.305 0.00 0.00 N+0 HETATM 80 C UNK 0 5.221 1.009 6.740 0.00 0.00 C+0 HETATM 81 C UNK 0 5.081 2.400 7.244 0.00 0.00 C+0 HETATM 82 C UNK 0 4.193 0.128 7.429 0.00 0.00 C+0 HETATM 83 N UNK 0 4.215 0.066 8.806 0.00 0.00 N+0 HETATM 84 C UNK 0 5.181 -0.546 9.592 0.00 0.00 C+0 HETATM 85 C UNK 0 6.540 0.076 9.721 0.00 0.00 C+0 HETATM 86 O UNK 0 7.343 -0.727 10.604 0.00 0.00 O+0 HETATM 87 H UNK 0 -3.829 -7.279 4.492 0.00 0.00 H+0 HETATM 88 H UNK 0 -4.958 -8.675 4.704 0.00 0.00 H+0 HETATM 89 H UNK 0 -5.460 -7.128 3.828 0.00 0.00 H+0 HETATM 90 H UNK 0 -6.263 -7.601 6.326 0.00 0.00 H+0 HETATM 91 H UNK 0 -4.604 -7.063 6.709 0.00 0.00 H+0 HETATM 92 H UNK 0 -6.640 -5.385 5.065 0.00 0.00 H+0 HETATM 93 H UNK 0 -6.181 -5.174 6.761 0.00 0.00 H+0 HETATM 94 H UNK 0 -3.902 -4.840 6.310 0.00 0.00 H+0 HETATM 95 H UNK 0 -3.962 -5.252 4.608 0.00 0.00 H+0 HETATM 96 H UNK 0 -5.691 -3.160 4.419 0.00 0.00 H+0 HETATM 97 H UNK 0 -5.282 -2.907 6.129 0.00 0.00 H+0 HETATM 98 H UNK 0 -3.217 -2.871 3.841 0.00 0.00 H+0 HETATM 99 H UNK 0 -2.901 -2.627 5.576 0.00 0.00 H+0 HETATM 100 H UNK 0 -5.002 -0.932 4.058 0.00 0.00 H+0 HETATM 101 H UNK 0 -4.226 0.301 6.431 0.00 0.00 H+0 HETATM 102 H UNK 0 -4.150 -1.434 6.824 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.695 -0.791 6.174 0.00 0.00 H+0 HETATM 104 H UNK 0 -3.454 0.914 4.438 0.00 0.00 H+0 HETATM 105 H UNK 0 -2.286 -0.101 5.259 0.00 0.00 H+0 HETATM 106 H UNK 0 -2.975 0.321 2.312 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.521 0.651 4.024 0.00 0.00 H+0 HETATM 108 H UNK 0 1.972 2.918 3.170 0.00 0.00 H+0 HETATM 109 H UNK 0 0.852 2.472 4.534 0.00 0.00 H+0 HETATM 110 H UNK 0 1.138 1.364 3.145 0.00 0.00 H+0 HETATM 111 H UNK 0 -0.433 3.814 4.651 0.00 0.00 H+0 HETATM 112 H UNK 0 -1.868 4.058 3.633 0.00 0.00 H+0 HETATM 113 H UNK 0 -0.370 5.112 3.435 0.00 0.00 H+0 HETATM 114 H UNK 0 1.463 3.565 1.407 0.00 0.00 H+0 HETATM 115 H UNK 0 1.140 3.878 -0.992 0.00 0.00 H+0 HETATM 116 H UNK 0 2.386 5.402 0.462 0.00 0.00 H+0 HETATM 117 H UNK 0 2.189 6.120 -1.170 0.00 0.00 H+0 HETATM 118 H UNK 0 1.175 6.752 0.146 0.00 0.00 H+0 HETATM 119 H UNK 0 -0.008 6.244 -2.122 0.00 0.00 H+0 HETATM 120 H UNK 0 -1.188 3.528 -4.389 0.00 0.00 H+0 HETATM 121 H UNK 0 -2.158 5.438 -5.587 0.00 0.00 H+0 HETATM 122 H UNK 0 -1.857 6.543 -4.230 0.00 0.00 H+0 HETATM 123 H UNK 0 0.524 6.256 -4.329 0.00 0.00 H+0 HETATM 124 H UNK 0 -0.732 7.714 -5.905 0.00 0.00 H+0 HETATM 125 H UNK 0 0.980 7.269 -6.437 0.00 0.00 H+0 HETATM 126 H UNK 0 -0.473 6.488 -7.181 0.00 0.00 H+0 HETATM 127 H UNK 0 0.696 3.873 -4.717 0.00 0.00 H+0 HETATM 128 H UNK 0 0.060 4.023 -6.383 0.00 0.00 H+0 HETATM 129 H UNK 0 2.530 5.393 -5.242 0.00 0.00 H+0 HETATM 130 H UNK 0 1.598 5.061 -7.939 0.00 0.00 H+0 HETATM 131 H UNK 0 2.308 2.636 -6.553 0.00 0.00 H+0 HETATM 132 H UNK 0 3.814 3.657 -6.384 0.00 0.00 H+0 HETATM 133 H UNK 0 2.704 0.867 -4.583 0.00 0.00 H+0 HETATM 134 H UNK 0 4.405 1.406 -4.698 0.00 0.00 H+0 HETATM 135 H UNK 0 3.390 0.428 -2.493 0.00 0.00 H+0 HETATM 136 H UNK 0 2.571 2.010 -2.374 0.00 0.00 H+0 HETATM 137 H UNK 0 4.418 1.977 -2.363 0.00 0.00 H+0 HETATM 138 H UNK 0 -3.642 4.610 -3.087 0.00 0.00 H+0 HETATM 139 H UNK 0 -5.527 3.403 -4.321 0.00 0.00 H+0 HETATM 140 H UNK 0 -4.304 1.915 -2.024 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.849 2.900 -2.188 0.00 0.00 H+0 HETATM 142 H UNK 0 -7.155 1.062 -2.852 0.00 0.00 H+0 HETATM 143 H UNK 0 -5.886 0.246 -1.810 0.00 0.00 H+0 HETATM 144 H UNK 0 -4.540 -0.221 -3.776 0.00 0.00 H+0 HETATM 145 H UNK 0 -6.221 -0.561 -4.375 0.00 0.00 H+0 HETATM 146 H UNK 0 -5.896 3.388 -6.742 0.00 0.00 H+0 HETATM 147 H UNK 0 -4.326 2.688 -7.173 0.00 0.00 H+0 HETATM 148 H UNK 0 -5.953 3.020 -9.183 0.00 0.00 H+0 HETATM 149 H UNK 0 -7.035 1.806 -8.427 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.049 1.219 -10.173 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.232 0.838 -8.584 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.765 -0.015 -9.002 0.00 0.00 H+0 HETATM 153 H UNK 0 -3.236 -1.453 1.010 0.00 0.00 H+0 HETATM 154 H UNK 0 -1.536 -3.856 1.428 0.00 0.00 H+0 HETATM 155 H UNK 0 -2.517 -4.670 -0.725 0.00 0.00 H+0 HETATM 156 H UNK 0 -3.305 -3.135 -1.014 0.00 0.00 H+0 HETATM 157 H UNK 0 -4.872 -4.657 -0.509 0.00 0.00 H+0 HETATM 158 H UNK 0 -6.162 -3.676 1.177 0.00 0.00 H+0 HETATM 159 H UNK 0 -5.216 -2.420 0.404 0.00 0.00 H+0 HETATM 160 H UNK 0 -4.706 -2.977 2.050 0.00 0.00 H+0 HETATM 161 H UNK 0 -5.022 -6.229 1.051 0.00 0.00 H+0 HETATM 162 H UNK 0 -4.061 -5.385 2.277 0.00 0.00 H+0 HETATM 163 H UNK 0 -3.237 -6.162 0.811 0.00 0.00 H+0 HETATM 164 H UNK 0 -0.610 -4.880 -0.791 0.00 0.00 H+0 HETATM 165 H UNK 0 0.654 -1.831 -2.455 0.00 0.00 H+0 HETATM 166 H UNK 0 -0.280 -3.131 -3.361 0.00 0.00 H+0 HETATM 167 H UNK 0 1.440 -2.952 -3.705 0.00 0.00 H+0 HETATM 168 H UNK 0 2.143 -5.259 -2.945 0.00 0.00 H+0 HETATM 169 H UNK 0 1.242 -5.922 -1.481 0.00 0.00 H+0 HETATM 170 H UNK 0 0.331 -5.495 -2.963 0.00 0.00 H+0 HETATM 171 H UNK 0 3.327 -3.135 -2.699 0.00 0.00 H+0 HETATM 172 H UNK 0 5.164 -3.885 -1.027 0.00 0.00 H+0 HETATM 173 H UNK 0 5.282 -0.910 -1.891 0.00 0.00 H+0 HETATM 174 H UNK 0 6.500 -1.896 -1.081 0.00 0.00 H+0 HETATM 175 H UNK 0 6.966 -1.722 -3.310 0.00 0.00 H+0 HETATM 176 H UNK 0 6.119 -4.580 -2.686 0.00 0.00 H+0 HETATM 177 H UNK 0 7.425 -3.974 -3.833 0.00 0.00 H+0 HETATM 178 H UNK 0 7.557 -3.635 -2.055 0.00 0.00 H+0 HETATM 179 H UNK 0 4.782 -3.370 -4.549 0.00 0.00 H+0 HETATM 180 H UNK 0 4.464 -1.594 -4.076 0.00 0.00 H+0 HETATM 181 H UNK 0 5.799 -2.069 -5.146 0.00 0.00 H+0 HETATM 182 H UNK 0 5.420 -0.620 0.467 0.00 0.00 H+0 HETATM 183 H UNK 0 4.185 -1.635 2.935 0.00 0.00 H+0 HETATM 184 H UNK 0 5.922 -1.978 2.931 0.00 0.00 H+0 HETATM 185 H UNK 0 4.644 0.806 2.620 0.00 0.00 H+0 HETATM 186 H UNK 0 6.386 0.484 2.506 0.00 0.00 H+0 HETATM 187 H UNK 0 4.384 1.706 4.889 0.00 0.00 H+0 HETATM 188 H UNK 0 6.239 0.558 6.893 0.00 0.00 H+0 HETATM 189 H UNK 0 5.901 3.052 6.845 0.00 0.00 H+0 HETATM 190 H UNK 0 5.080 2.481 8.349 0.00 0.00 H+0 HETATM 191 H UNK 0 4.123 2.868 6.893 0.00 0.00 H+0 HETATM 192 H UNK 0 3.155 0.326 7.029 0.00 0.00 H+0 HETATM 193 H UNK 0 4.381 -0.929 6.998 0.00 0.00 H+0 HETATM 194 H UNK 0 3.303 0.149 9.306 0.00 0.00 H+0 HETATM 195 H UNK 0 4.785 -0.583 10.657 0.00 0.00 H+0 HETATM 196 H UNK 0 5.305 -1.657 9.307 0.00 0.00 H+0 HETATM 197 H UNK 0 7.141 0.111 8.807 0.00 0.00 H+0 HETATM 198 H UNK 0 6.466 1.066 10.248 0.00 0.00 H+0 HETATM 199 H UNK 0 7.908 -0.132 11.174 0.00 0.00 H+0 CONECT 1 2 87 88 89 CONECT 2 1 3 90 91 CONECT 3 2 4 92 93 CONECT 4 3 5 94 95 CONECT 5 4 6 96 97 CONECT 6 5 7 98 99 CONECT 7 6 8 9 100 CONECT 8 7 101 102 103 CONECT 9 7 10 104 105 CONECT 10 9 11 50 106 CONECT 11 10 12 107 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 16 17 CONECT 15 14 108 109 110 CONECT 16 14 111 112 113 CONECT 17 14 18 114 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 22 115 CONECT 21 20 116 117 118 CONECT 22 20 23 119 CONECT 23 22 24 25 CONECT 24 23 CONECT 25 23 26 37 120 CONECT 26 25 27 121 122 CONECT 27 26 28 29 123 CONECT 28 27 124 125 126 CONECT 29 27 30 127 128 CONECT 30 29 31 32 129 CONECT 31 30 130 CONECT 32 30 33 131 132 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 133 134 CONECT 36 35 135 136 137 CONECT 37 25 38 138 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 44 139 CONECT 41 40 42 140 141 CONECT 42 41 43 142 143 CONECT 43 42 44 144 145 CONECT 44 43 45 40 CONECT 45 44 46 47 CONECT 46 45 CONECT 47 45 48 146 147 CONECT 48 47 49 148 149 CONECT 49 48 150 151 152 CONECT 50 10 51 52 CONECT 51 50 CONECT 52 50 53 153 CONECT 53 52 54 58 154 CONECT 54 53 55 155 156 CONECT 55 54 56 57 157 CONECT 56 55 158 159 160 CONECT 57 55 161 162 163 CONECT 58 53 59 60 CONECT 59 58 CONECT 60 58 61 164 CONECT 61 60 62 63 64 CONECT 62 61 165 166 167 CONECT 63 61 168 169 170 CONECT 64 61 65 66 CONECT 65 64 CONECT 66 64 67 171 CONECT 67 66 68 72 172 CONECT 68 67 69 173 174 CONECT 69 68 70 71 175 CONECT 70 69 176 177 178 CONECT 71 69 179 180 181 CONECT 72 67 73 74 CONECT 73 72 CONECT 74 72 75 182 CONECT 75 74 76 183 184 CONECT 76 75 77 185 186 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 80 187 CONECT 80 79 81 82 188 CONECT 81 80 189 190 191 CONECT 82 80 83 192 193 CONECT 83 82 84 194 CONECT 84 83 85 195 196 CONECT 85 84 86 197 198 CONECT 86 85 199 CONECT 87 1 CONECT 88 1 CONECT 89 1 CONECT 90 2 CONECT 91 2 CONECT 92 3 CONECT 93 3 CONECT 94 4 CONECT 95 4 CONECT 96 5 CONECT 97 5 CONECT 98 6 CONECT 99 6 CONECT 100 7 CONECT 101 8 CONECT 102 8 CONECT 103 8 CONECT 104 9 CONECT 105 9 CONECT 106 10 CONECT 107 11 CONECT 108 15 CONECT 109 15 CONECT 110 15 CONECT 111 16 CONECT 112 16 CONECT 113 16 CONECT 114 17 CONECT 115 20 CONECT 116 21 CONECT 117 21 CONECT 118 21 CONECT 119 22 CONECT 120 25 CONECT 121 26 CONECT 122 26 CONECT 123 27 CONECT 124 28 CONECT 125 28 CONECT 126 28 CONECT 127 29 CONECT 128 29 CONECT 129 30 CONECT 130 31 CONECT 131 32 CONECT 132 32 CONECT 133 35 CONECT 134 35 CONECT 135 36 CONECT 136 36 CONECT 137 36 CONECT 138 37 CONECT 139 40 CONECT 140 41 CONECT 141 41 CONECT 142 42 CONECT 143 42 CONECT 144 43 CONECT 145 43 CONECT 146 47 CONECT 147 47 CONECT 148 48 CONECT 149 48 CONECT 150 49 CONECT 151 49 CONECT 152 49 CONECT 153 52 CONECT 154 53 CONECT 155 54 CONECT 156 54 CONECT 157 55 CONECT 158 56 CONECT 159 56 CONECT 160 56 CONECT 161 57 CONECT 162 57 CONECT 163 57 CONECT 164 60 CONECT 165 62 CONECT 166 62 CONECT 167 62 CONECT 168 63 CONECT 169 63 CONECT 170 63 CONECT 171 66 CONECT 172 67 CONECT 173 68 CONECT 174 68 CONECT 175 69 CONECT 176 70 CONECT 177 70 CONECT 178 70 CONECT 179 71 CONECT 180 71 CONECT 181 71 CONECT 182 74 CONECT 183 75 CONECT 184 75 CONECT 185 76 CONECT 186 76 CONECT 187 79 CONECT 188 80 CONECT 189 81 CONECT 190 81 CONECT 191 81 CONECT 192 82 CONECT 193 82 CONECT 194 83 CONECT 195 84 CONECT 196 84 CONECT 197 85 CONECT 198 85 CONECT 199 86 MASTER 0 0 0 0 0 0 0 0 199 0 398 0 END SMILES for NP0006389 (Culicinin C)[H]OC([H])([H])C([H])([H])N([H])C([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C([H])([H])C(=O)C([H])([H])C([H])([H])[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(C([H])([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([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0006389 (Culicinin C)InChI=1S/C62H113N11O13/c1-16-19-20-21-24-40(8)34-49(56(82)67-47(32-39(6)7)57(83)72-62(14,15)60(86)69-46(31-38(4)5)54(80)64-27-26-51(77)65-42(10)37-63-28-30-74)70-59(85)61(12,13)71-53(79)43(11)66-55(81)48(35-41(9)33-45(76)36-44(75)18-3)68-58(84)50-25-22-29-73(50)52(78)23-17-2/h38-43,45-50,63,74,76H,16-37H2,1-15H3,(H,64,80)(H,65,77)(H,66,81)(H,67,82)(H,68,84)(H,69,86)(H,70,85)(H,71,79)(H,72,83)/t40-,41-,42+,43+,45+,46+,47+,48+,49-,50+/m1/s1 3D Structure for NP0006389 (Culicinin C) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C62H113N11O13 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1220.6500 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1219.85193 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,4S,6S)-2-{[(2S)-1-butanoylpyrrolidin-2-yl]formamido}-6-hydroxy-N-[(1S)-1-[(1-{[(1R,3R)-1-{[(1S)-1-{[1-({1-[(2-{[(2S)-1-[(2-hydroxyethyl)amino]propan-2-yl]carbamoyl}ethyl)carbamoyl]-3-methylbutyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylnonyl]carbamoyl}-1-methylethyl)carbamoyl]ethyl]-4-methyl-8-oxodecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,4S,6S)-2-{[(2S)-1-butanoylpyrrolidin-2-yl]formamido}-6-hydroxy-N-[(1S)-1-[(1-{[(1R,3R)-1-{[(1S)-1-{[1-({1-[(2-{[(2S)-1-[(2-hydroxyethyl)amino]propan-2-yl]carbamoyl}ethyl)carbamoyl]-3-methylbutyl}carbamoyl)-1-methylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylnonyl]carbamoyl}-1-methylethyl)carbamoyl]ethyl]-4-methyl-8-oxodecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCCC(C)C[C@@H](NC(=O)C(C)(C)NC(=O)C(C)NC(=O)[C@H](CC(C)CC(O)CC(=O)CC)NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NC(C)CNCCO | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C62H113N11O13/c1-16-19-20-21-24-40(8)34-49(56(82)67-47(32-39(6)7)57(83)72-62(14,15)60(86)69-46(31-38(4)5)54(80)64-27-26-51(77)65-42(10)37-63-28-30-74)70-59(85)61(12,13)71-53(79)43(11)66-55(81)48(35-41(9)33-45(76)36-44(75)18-3)68-58(84)50-25-22-29-73(50)52(78)23-17-2/h38-43,45-50,63,74,76H,16-37H2,1-15H3,(H,64,80)(H,65,77)(H,66,81)(H,67,82)(H,68,84)(H,69,86)(H,70,85)(H,71,79)(H,72,83)/t40?,41?,42?,43?,45?,46-,47-,48-,49+,50-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | IIKPZFDORRGEBZ-GLXLDMGXSA-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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic acids and derivatives | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Peptidomimetics | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Hybrid peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Hybrid peptides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA016369 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | C00041463 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445306 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139587643 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
