Showing NP-Card for Laxaphycin A (NP0006944)
| Record Information | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Version | 2.0 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 03:51:48 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:56:13 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0006944 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Laxaphycin A | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Laxaphycin A 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. Laxaphycin A is found in Anabaena laxa FK-1-2 and Lyngbya majuscula. Laxaphycin A was first documented in 2007 (PMID: 17323939). Based on a literature review very few articles have been published on Laxaphycin A. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0006944 (Laxaphycin A)
Mrv1652307012119083D
182184 0 0 0 0 999 V2000
3.8031 7.7081 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4300 6.2593 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 5.6325 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 4.2400 1.1912 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3197 3.3281 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 2.4733 0.0727 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 3.3349 -1.0218 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9624 2.3648 -2.0898 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9919 2.4206 -3.1860 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6284 1.4932 -4.1728 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6601 3.2599 -0.5203 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4834 2.1261 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7123 2.2724 -0.6841 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0604 0.7401 -0.1162 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7585 0.2659 1.1550 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1002 -0.3024 0.9122 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2150 -1.4792 0.0267 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6802 -1.9170 -0.1296 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2877 -2.2892 1.1979 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5324 -3.4389 1.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8905 -0.4817 2.0331 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3312 -1.7445 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 -2.4856 2.8597 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9053 -2.3636 0.5579 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4881 -2.4058 0.3317 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8198 -3.3894 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9554 -2.9614 -1.2663 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 -4.8342 -0.3178 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6371 -5.4092 -1.5895 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9900 -6.8350 -1.6482 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5444 -7.0790 -3.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 -7.8389 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1163 -5.6579 0.2639 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2388 -5.5537 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -6.1772 1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -4.8582 -0.1877 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4590 -5.2588 -1.6419 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7768 -6.7330 -1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3277 -4.3891 -2.4605 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7576 -4.2831 -2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6322 -5.2102 0.4311 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3681 -4.3788 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6401 -4.4320 1.1307 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8524 -3.4844 2.3409 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7227 -3.4599 3.5824 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1117 -3.0062 3.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6256 -4.8482 4.2092 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4382 -4.9932 5.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 -2.1933 1.8973 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0894 -1.0217 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8752 0.0161 2.3106 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1189 -0.7948 0.5342 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1945 0.0409 1.1228 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.3254 0.3245 0.1567 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3887 1.1839 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9287 -0.9681 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5493 -0.3705 -0.7019 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8083 0.7317 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5624 0.4766 -1.4196 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1286 2.1465 -1.3070 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8649 2.4113 -2.5961 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.2443 3.7720 -2.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5094 4.2255 -2.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9297 5.5169 -2.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0762 6.4346 -3.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8186 5.9924 -3.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4115 4.7001 -3.4836 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7821 2.8343 -0.2328 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.1910 3.5107 0.8417 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9282 3.9250 1.7936 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7472 3.8243 1.0256 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1354 2.8529 2.0501 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7889 2.9081 3.3863 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.7141 4.1546 3.9913 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5540 5.1805 1.4856 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5479 6.0959 1.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2311 6.4596 2.0735 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2613 6.6897 -0.1747 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2650 6.4012 -1.2532 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.4703 6.8768 -2.4827 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2920 8.2340 -2.5004 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8181 6.1156 -2.2248 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0127 6.4009 -0.7812 N 0 0 0 0 0 0 0 0 0 0 0 0
2.2771 6.4168 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2134 7.2010 -0.5834 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9534 8.3221 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0479 8.0672 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7148 7.8220 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7516 5.6901 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1707 3.9299 2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1696 4.3591 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0091 2.7580 -2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 1.3462 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9023 3.4411 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0268 2.3046 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1110 1.7613 -4.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0650 4.1816 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9878 0.6334 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4027 0.1433 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9658 1.2538 1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7272 0.5245 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5714 -0.4827 1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7491 -2.3623 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7713 -1.3917 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7200 -2.7829 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2926 -1.0892 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3064 -2.6641 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3693 -1.4490 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7357 -3.0368 2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1114 -4.1115 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2425 -4.0287 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6162 -0.0440 2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3592 -1.8616 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3646 -3.3894 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -1.6376 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0072 -4.8819 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5776 -4.8224 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9617 -5.1316 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8200 -7.0240 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0506 -8.0584 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2476 -6.2490 -3.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6645 -7.0870 -3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9295 -7.3709 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0598 -8.5440 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 -8.5364 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5506 -6.6005 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2306 -3.7843 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4038 -5.1701 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4618 -7.2945 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 -6.9414 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -7.1606 -2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3254 -4.7222 -3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9423 -3.3351 -2.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4115 -3.9748 -2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8747 -3.4453 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1866 -5.1846 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9714 -6.1852 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9401 -4.0477 2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2080 -2.7824 4.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7890 -3.8229 3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4815 -2.7747 2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3516 -2.1311 4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9528 -5.6336 3.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5664 -5.0766 4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9690 -5.8299 6.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4026 -4.1142 6.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4688 -5.3404 5.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 -2.1159 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
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-5.6706 -0.4727 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8306 1.0062 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
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-6.9080 2.1243 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.4682 -1.5326 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
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-3.7369 -1.0920 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1523 2.7348 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2815 2.0225 -3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7806 1.7893 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2060 3.5519 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9183 5.7962 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4141 7.4435 -3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1888 6.7339 -4.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4403 4.3508 -3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8275 2.8316 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 3.6248 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0902 3.2614 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0340 1.8774 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 2.2205 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8177 2.5332 3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5475 4.2915 4.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2972 5.4816 2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3681 7.8286 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4836 5.3595 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 6.9710 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9809 6.4541 -3.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 8.7015 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5734 5.0538 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6366 6.4535 -2.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
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7 11 1 0 0 0 0
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12 13 2 0 0 0 0
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15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
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19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
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24 25 1 0 0 0 0
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28 29 1 0 0 0 0
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84 85 2 0 0 0 0
84 3 1 0 0 0 0
67 62 1 0 0 0 0
83 78 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
1 88 1 0 0 0 0
2 89 1 0 0 0 0
4 90 1 0 0 0 0
7 91 1 6 0 0 0
8 92 1 0 0 0 0
8 93 1 0 0 0 0
9 94 1 0 0 0 0
9 95 1 0 0 0 0
10 96 1 0 0 0 0
11 97 1 0 0 0 0
14 98 1 0 0 0 0
14 99 1 0 0 0 0
15100 1 1 0 0 0
16101 1 0 0 0 0
16102 1 0 0 0 0
17103 1 0 0 0 0
17104 1 0 0 0 0
18105 1 0 0 0 0
18106 1 0 0 0 0
19107 1 0 0 0 0
19108 1 0 0 0 0
20109 1 0 0 0 0
20110 1 0 0 0 0
20111 1 0 0 0 0
21112 1 0 0 0 0
24113 1 0 0 0 0
24114 1 0 0 0 0
25115 1 0 0 0 0
28116 1 1 0 0 0
29117 1 0 0 0 0
29118 1 0 0 0 0
30119 1 1 0 0 0
31120 1 0 0 0 0
31121 1 0 0 0 0
31122 1 0 0 0 0
32123 1 0 0 0 0
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33126 1 0 0 0 0
36127 1 6 0 0 0
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38131 1 0 0 0 0
39132 1 0 0 0 0
39133 1 0 0 0 0
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40135 1 0 0 0 0
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80179 1 6 0 0 0
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82181 1 0 0 0 0
82182 1 0 0 0 0
M END
3D MOL for NP0006944 (Laxaphycin A)
RDKit 3D
182184 0 0 0 0 0 0 0 0999 V2000
3.8031 7.7081 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4300 6.2593 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 5.6325 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 4.2400 1.1912 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3197 3.3281 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 2.4733 0.0727 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 3.3349 -1.0218 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9624 2.3648 -2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9919 2.4206 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6284 1.4932 -4.1728 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6601 3.2599 -0.5203 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4834 2.1261 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7123 2.2724 -0.6841 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0604 0.7401 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7585 0.2659 1.1550 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1002 -0.3024 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2150 -1.4792 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6802 -1.9170 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2877 -2.2892 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5324 -3.4389 1.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8905 -0.4817 2.0331 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3312 -1.7445 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.9053 -2.3636 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
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82182 1 0
M END
3D SDF for NP0006944 (Laxaphycin A)
Mrv1652307012119083D
182184 0 0 0 0 999 V2000
3.8031 7.7081 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4300 6.2593 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 5.6325 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 4.2400 1.1912 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3197 3.3281 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 2.4733 0.0727 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 3.3349 -1.0218 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9624 2.3648 -2.0898 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9919 2.4206 -3.1860 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6284 1.4932 -4.1728 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6601 3.2599 -0.5203 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4834 2.1261 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7123 2.2724 -0.6841 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0604 0.7401 -0.1162 C 0 0 1 0 0 0 0 0 0 0 0 0
5.7585 0.2659 1.1550 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1002 -0.3024 0.9122 C 0 0 1 0 0 0 0 0 0 0 0 0
7.2150 -1.4792 0.0267 C 0 0 1 0 0 0 0 0 0 0 0 0
8.6802 -1.9170 -0.1296 C 0 0 1 0 0 0 0 0 0 0 0 0
9.2877 -2.2892 1.1979 C 0 0 1 0 0 0 0 0 0 0 0 0
8.5324 -3.4389 1.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8905 -0.4817 2.0331 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3312 -1.7445 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.2771 6.4168 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2134 7.2010 -0.5834 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9534 8.3221 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0479 8.0672 2.8256 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7148 7.8220 1.2036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7516 5.6901 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1707 3.9299 2.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1696 4.3591 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0091 2.7580 -2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7091 1.3462 -1.7751 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9023 3.4411 -3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0268 2.3046 -2.8536 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1110 1.7613 -4.9995 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0650 4.1816 -0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9878 0.6334 0.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4027 0.1433 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9658 1.2538 1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7272 0.5245 0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5714 -0.4827 1.9041 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7491 -2.3623 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7713 -1.3917 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7200 -2.7829 -0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2926 -1.0892 -0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3064 -2.6641 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3693 -1.4490 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7357 -3.0368 2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1114 -4.1115 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2425 -4.0287 2.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6162 -0.0440 2.9779 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3592 -1.8616 -0.3487 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3646 -3.3894 0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9047 -1.6376 0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0072 -4.8819 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5776 -4.8224 -1.8135 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9617 -5.1316 -2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8200 -7.0240 -0.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0506 -8.0584 -3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2476 -6.2490 -3.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6645 -7.0870 -3.7370 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9295 -7.3709 -1.4957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0598 -8.5440 -0.6071 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 -8.5364 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5506 -6.6005 0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2306 -3.7843 -0.0188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4038 -5.1701 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4618 -7.2945 -0.8752 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8538 -6.9414 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2805 -7.1606 -2.7054 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3254 -4.7222 -3.5395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9423 -3.3351 -2.5277 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4115 -3.9748 -2.9397 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8747 -3.4453 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1866 -5.1846 -1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9714 -6.1852 0.1618 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9401 -4.0477 2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2080 -2.7824 4.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7890 -3.8229 3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4815 -2.7747 2.4241 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3516 -2.1311 4.0924 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9528 -5.6336 3.4913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5664 -5.0766 4.4577 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9690 -5.8299 6.0533 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4026 -4.1142 6.1221 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4688 -5.3404 5.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3303 -2.1159 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5905 -1.8144 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6706 -0.4727 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8306 1.0062 1.5537 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9126 0.8362 -0.7208 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9080 2.1243 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1079 1.4540 -0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8826 0.6709 1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6762 -0.6613 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4682 -1.5326 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1678 -1.5658 -0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7369 -1.0920 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1523 2.7348 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2815 2.0225 -3.4628 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7806 1.7893 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2060 3.5519 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9183 5.7962 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4141 7.4435 -3.5093 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1888 6.7339 -4.1889 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4403 4.3508 -3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8275 2.8316 -0.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1574 3.6248 0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0902 3.2614 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0340 1.8774 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2002 2.2205 4.0562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8177 2.5332 3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5475 4.2915 4.5132 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2972 5.4816 2.2023 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3681 7.8286 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4836 5.3595 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2052 6.9710 -1.1483 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9809 6.4541 -3.3682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 8.7015 -2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5734 5.0538 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6366 6.4535 -2.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
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5 6 2 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
7 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
28 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
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36 37 1 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
39 40 1 0 0 0 0
36 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
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45 46 1 0 0 0 0
45 47 1 0 0 0 0
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49 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
54 56 1 0 0 0 0
52 57 1 0 0 0 0
57 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
62 63 2 0 0 0 0
63 64 1 0 0 0 0
64 65 2 0 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
60 68 1 0 0 0 0
68 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
73 74 1 0 0 0 0
71 75 1 0 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
76 78 1 0 0 0 0
78 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 2 0 0 0 0
84 3 1 0 0 0 0
67 62 1 0 0 0 0
83 78 1 0 0 0 0
1 86 1 0 0 0 0
1 87 1 0 0 0 0
1 88 1 0 0 0 0
2 89 1 0 0 0 0
4 90 1 0 0 0 0
7 91 1 6 0 0 0
8 92 1 0 0 0 0
8 93 1 0 0 0 0
9 94 1 0 0 0 0
9 95 1 0 0 0 0
10 96 1 0 0 0 0
11 97 1 0 0 0 0
14 98 1 0 0 0 0
14 99 1 0 0 0 0
15100 1 1 0 0 0
16101 1 0 0 0 0
16102 1 0 0 0 0
17103 1 0 0 0 0
17104 1 0 0 0 0
18105 1 0 0 0 0
18106 1 0 0 0 0
19107 1 0 0 0 0
19108 1 0 0 0 0
20109 1 0 0 0 0
20110 1 0 0 0 0
20111 1 0 0 0 0
21112 1 0 0 0 0
24113 1 0 0 0 0
24114 1 0 0 0 0
25115 1 0 0 0 0
28116 1 1 0 0 0
29117 1 0 0 0 0
29118 1 0 0 0 0
30119 1 1 0 0 0
31120 1 0 0 0 0
31121 1 0 0 0 0
31122 1 0 0 0 0
32123 1 0 0 0 0
32124 1 0 0 0 0
32125 1 0 0 0 0
33126 1 0 0 0 0
36127 1 6 0 0 0
37128 1 6 0 0 0
38129 1 0 0 0 0
38130 1 0 0 0 0
38131 1 0 0 0 0
39132 1 0 0 0 0
39133 1 0 0 0 0
40134 1 0 0 0 0
40135 1 0 0 0 0
40136 1 0 0 0 0
41137 1 0 0 0 0
44138 1 1 0 0 0
45139 1 1 0 0 0
46140 1 0 0 0 0
46141 1 0 0 0 0
46142 1 0 0 0 0
47143 1 0 0 0 0
47144 1 0 0 0 0
48145 1 0 0 0 0
48146 1 0 0 0 0
48147 1 0 0 0 0
49148 1 0 0 0 0
52149 1 6 0 0 0
53150 1 0 0 0 0
53151 1 0 0 0 0
54152 1 6 0 0 0
55153 1 0 0 0 0
55154 1 0 0 0 0
55155 1 0 0 0 0
56156 1 0 0 0 0
56157 1 0 0 0 0
56158 1 0 0 0 0
57159 1 0 0 0 0
60160 1 6 0 0 0
61161 1 0 0 0 0
61162 1 0 0 0 0
63163 1 0 0 0 0
64164 1 0 0 0 0
65165 1 0 0 0 0
66166 1 0 0 0 0
67167 1 0 0 0 0
68168 1 0 0 0 0
71169 1 6 0 0 0
72170 1 0 0 0 0
72171 1 0 0 0 0
73172 1 0 0 0 0
73173 1 0 0 0 0
74174 1 0 0 0 0
75175 1 0 0 0 0
78176 1 1 0 0 0
79177 1 0 0 0 0
79178 1 0 0 0 0
80179 1 6 0 0 0
81180 1 0 0 0 0
82181 1 0 0 0 0
82182 1 0 0 0 0
M END
> <DATABASE_ID>
NP0006944
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)C([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)\C(N([H])C1=O)=C(\[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C([H])([H])C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14+/t36-,37-,39-,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1
> <INCHI_KEY>
AQBJITSSPIIUAM-CCBYSCTGSA-N
> <FORMULA>
C60H97N11O14
> <MOLECULAR_WEIGHT>
1196.499
> <EXACT_MASS>
1195.721646847
> <JCHEM_ACCEPTOR_COUNT>
14
> <JCHEM_ATOM_COUNT>
182
> <JCHEM_AVERAGE_POLARIZABILITY>
128.41472186520025
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
13
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(3S,6R,9R,12S,15R,18S,24S,28S,31E,35R,36aS)-6-benzyl-12,15-bis[(2S)-butan-2-yl]-31-ethylidene-35-hydroxy-3,28-bis(2-hydroxyethyl)-9,18-bis(2-methylpropyl)-24-pentyl-hexatriacontahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotetratriacontan-1,4,7,10,13,16,19,22,26,29,32-undecone
> <ALOGPS_LOGP>
1.84
> <JCHEM_LOGP>
-0.2072243323333347
> <ALOGPS_LOGS>
-4.34
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.881981150384515
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.524259588187576
> <JCHEM_POLAR_SURFACE_AREA>
371.99999999999994
> <JCHEM_REFRACTIVITY>
315.8059000000001
> <JCHEM_ROTATABLE_BOND_COUNT>
18
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
5.50e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(3S,6R,9R,12S,15R,18S,24S,28S,31E,35R,36aS)-6-benzyl-12,15-bis[(2S)-butan-2-yl]-31-ethylidene-35-hydroxy-3,28-bis(2-hydroxyethyl)-9,18-bis(2-methylpropyl)-24-pentyl-tetracosahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotetratriacontan-1,4,7,10,13,16,19,22,26,29,32-undecone
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0006944 (Laxaphycin A)
RDKit 3D
182184 0 0 0 0 0 0 0 0999 V2000
3.8031 7.7081 1.8255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4300 6.2593 1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6917 5.6325 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 4.2400 1.1912 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3197 3.3281 0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4124 2.4733 0.0727 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3121 3.3349 -1.0218 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9624 2.3648 -2.0898 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9919 2.4206 -3.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6284 1.4932 -4.1728 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6601 3.2599 -0.5203 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4834 2.1261 -0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7123 2.2724 -0.6841 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0604 0.7401 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7585 0.2659 1.1550 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1002 -0.3024 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2150 -1.4792 0.0267 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6802 -1.9170 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2877 -2.2892 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5324 -3.4389 1.8472 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8905 -0.4817 2.0331 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3312 -1.7445 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1550 -2.4856 2.8597 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9053 -2.3636 0.5579 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4881 -2.4058 0.3317 N 0 0 0 0 0 0 0 0 0 0 0 0
1.8198 -3.3894 -0.4435 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9554 -2.9614 -1.2663 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1006 -4.8342 -0.3178 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6371 -5.4092 -1.5895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9900 -6.8350 -1.6482 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5444 -7.0790 -3.0682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9129 -7.8389 -1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1163 -5.6579 0.2639 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2388 -5.5537 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -6.1772 1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3312 -4.8582 -0.1877 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4590 -5.2588 -1.6419 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.7768 -6.7330 -1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3277 -4.3891 -2.4605 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7576 -4.2831 -2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6322 -5.2102 0.4311 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3681 -4.3788 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6401 -4.4320 1.1307 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8524 -3.4844 2.3409 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7227 -3.4599 3.5824 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1117 -3.0062 3.4128 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6256 -4.8482 4.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4382 -4.9932 5.4548 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4035 -2.1933 1.8973 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0894 -1.0217 1.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8752 0.0161 2.3106 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1189 -0.7948 0.5342 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1945 0.0409 1.1228 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3254 0.3245 0.1567 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.3887 1.1839 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9287 -0.9681 -0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5493 -0.3705 -0.7019 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.8083 0.7317 -1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5624 0.4766 -1.4196 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1286 2.1465 -1.3070 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.8649 2.4113 -2.5961 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2443 3.7720 -2.8712 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5094 4.2255 -2.5041 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9297 5.5169 -2.7259 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0762 6.4346 -3.3425 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0006944 (Laxaphycin A)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 3.803 7.708 1.825 0.00 0.00 C+0 HETATM 2 C UNK 0 3.430 6.259 1.952 0.00 0.00 C+0 HETATM 3 C UNK 0 2.692 5.633 1.015 0.00 0.00 C+0 HETATM 4 N UNK 0 2.367 4.240 1.191 0.00 0.00 N+0 HETATM 5 C UNK 0 2.320 3.328 0.104 0.00 0.00 C+0 HETATM 6 O UNK 0 1.412 2.473 0.073 0.00 0.00 O+0 HETATM 7 C UNK 0 3.312 3.335 -1.022 0.00 0.00 C+0 HETATM 8 C UNK 0 2.962 2.365 -2.090 0.00 0.00 C+0 HETATM 9 C UNK 0 3.992 2.421 -3.186 0.00 0.00 C+0 HETATM 10 O UNK 0 3.628 1.493 -4.173 0.00 0.00 O+0 HETATM 11 N UNK 0 4.660 3.260 -0.520 0.00 0.00 N+0 HETATM 12 C UNK 0 5.483 2.126 -0.448 0.00 0.00 C+0 HETATM 13 O UNK 0 6.712 2.272 -0.684 0.00 0.00 O+0 HETATM 14 C UNK 0 5.060 0.740 -0.116 0.00 0.00 C+0 HETATM 15 C UNK 0 5.758 0.266 1.155 0.00 0.00 C+0 HETATM 16 C UNK 0 7.100 -0.302 0.912 0.00 0.00 C+0 HETATM 17 C UNK 0 7.215 -1.479 0.027 0.00 0.00 C+0 HETATM 18 C UNK 0 8.680 -1.917 -0.130 0.00 0.00 C+0 HETATM 19 C UNK 0 9.288 -2.289 1.198 0.00 0.00 C+0 HETATM 20 C UNK 0 8.532 -3.439 1.847 0.00 0.00 C+0 HETATM 21 N UNK 0 4.891 -0.482 2.033 0.00 0.00 N+0 HETATM 22 C UNK 0 4.331 -1.744 1.820 0.00 0.00 C+0 HETATM 23 O UNK 0 4.155 -2.486 2.860 0.00 0.00 O+0 HETATM 24 C UNK 0 3.905 -2.364 0.558 0.00 0.00 C+0 HETATM 25 N UNK 0 2.488 -2.406 0.332 0.00 0.00 N+0 HETATM 26 C UNK 0 1.820 -3.389 -0.444 0.00 0.00 C+0 HETATM 27 O UNK 0 0.955 -2.961 -1.266 0.00 0.00 O+0 HETATM 28 C UNK 0 2.101 -4.834 -0.318 0.00 0.00 C+0 HETATM 29 C UNK 0 2.637 -5.409 -1.589 0.00 0.00 C+0 HETATM 30 C UNK 0 2.990 -6.835 -1.648 0.00 0.00 C+0 HETATM 31 C UNK 0 3.544 -7.079 -3.068 0.00 0.00 C+0 HETATM 32 C UNK 0 1.913 -7.839 -1.456 0.00 0.00 C+0 HETATM 33 N UNK 0 1.116 -5.658 0.264 0.00 0.00 N+0 HETATM 34 C UNK 0 -0.239 -5.554 0.524 0.00 0.00 C+0 HETATM 35 O UNK 0 -0.638 -6.177 1.589 0.00 0.00 O+0 HETATM 36 C UNK 0 -1.331 -4.858 -0.188 0.00 0.00 C+0 HETATM 37 C UNK 0 -1.459 -5.259 -1.642 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.777 -6.733 -1.783 0.00 0.00 C+0 HETATM 39 C UNK 0 -2.328 -4.389 -2.461 0.00 0.00 C+0 HETATM 40 C UNK 0 -3.758 -4.283 -2.063 0.00 0.00 C+0 HETATM 41 N UNK 0 -2.632 -5.210 0.431 0.00 0.00 N+0 HETATM 42 C UNK 0 -3.368 -4.379 1.296 0.00 0.00 C+0 HETATM 43 O UNK 0 -4.640 -4.432 1.131 0.00 0.00 O+0 HETATM 44 C UNK 0 -2.852 -3.484 2.341 0.00 0.00 C+0 HETATM 45 C UNK 0 -3.723 -3.460 3.582 0.00 0.00 C+0 HETATM 46 C UNK 0 -5.112 -3.006 3.413 0.00 0.00 C+0 HETATM 47 C UNK 0 -3.626 -4.848 4.209 0.00 0.00 C+0 HETATM 48 C UNK 0 -4.438 -4.993 5.455 0.00 0.00 C+0 HETATM 49 N UNK 0 -2.404 -2.193 1.897 0.00 0.00 N+0 HETATM 50 C UNK 0 -3.089 -1.022 1.617 0.00 0.00 C+0 HETATM 51 O UNK 0 -2.875 0.016 2.311 0.00 0.00 O+0 HETATM 52 C UNK 0 -4.119 -0.795 0.534 0.00 0.00 C+0 HETATM 53 C UNK 0 -5.194 0.041 1.123 0.00 0.00 C+0 HETATM 54 C UNK 0 -6.325 0.325 0.157 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.389 1.184 0.774 0.00 0.00 C+0 HETATM 56 C UNK 0 -6.929 -0.968 -0.371 0.00 0.00 C+0 HETATM 57 N UNK 0 -3.549 -0.371 -0.702 0.00 0.00 N+0 HETATM 58 C UNK 0 -2.808 0.732 -1.120 0.00 0.00 C+0 HETATM 59 O UNK 0 -1.562 0.477 -1.420 0.00 0.00 O+0 HETATM 60 C UNK 0 -3.129 2.147 -1.307 0.00 0.00 C+0 HETATM 61 C UNK 0 -3.865 2.411 -2.596 0.00 0.00 C+0 HETATM 62 C UNK 0 -4.244 3.772 -2.871 0.00 0.00 C+0 HETATM 63 C UNK 0 -5.509 4.226 -2.504 0.00 0.00 C+0 HETATM 64 C UNK 0 -5.930 5.517 -2.726 0.00 0.00 C+0 HETATM 65 C UNK 0 -5.076 6.435 -3.342 0.00 0.00 C+0 HETATM 66 C UNK 0 -3.819 5.992 -3.711 0.00 0.00 C+0 HETATM 67 C UNK 0 -3.412 4.700 -3.484 0.00 0.00 C+0 HETATM 68 N UNK 0 -3.782 2.834 -0.233 0.00 0.00 N+0 HETATM 69 C UNK 0 -3.191 3.511 0.842 0.00 0.00 C+0 HETATM 70 O UNK 0 -3.928 3.925 1.794 0.00 0.00 O+0 HETATM 71 C UNK 0 -1.747 3.824 1.026 0.00 0.00 C+0 HETATM 72 C UNK 0 -1.135 2.853 2.050 0.00 0.00 C+0 HETATM 73 C UNK 0 -1.789 2.908 3.386 0.00 0.00 C+0 HETATM 74 O UNK 0 -1.714 4.155 3.991 0.00 0.00 O+0 HETATM 75 N UNK 0 -1.554 5.181 1.486 0.00 0.00 N+0 HETATM 76 C UNK 0 -0.548 6.096 1.115 0.00 0.00 C+0 HETATM 77 O UNK 0 0.231 6.460 2.074 0.00 0.00 O+0 HETATM 78 C UNK 0 -0.261 6.690 -0.175 0.00 0.00 C+0 HETATM 79 C UNK 0 -1.265 6.401 -1.253 0.00 0.00 C+0 HETATM 80 C UNK 0 -0.470 6.877 -2.483 0.00 0.00 C+0 HETATM 81 O UNK 0 -0.292 8.234 -2.500 0.00 0.00 O+0 HETATM 82 C UNK 0 0.818 6.116 -2.225 0.00 0.00 C+0 HETATM 83 N UNK 0 1.013 6.401 -0.781 0.00 0.00 N+0 HETATM 84 C UNK 0 2.277 6.417 -0.138 0.00 0.00 C+0 HETATM 85 O UNK 0 3.213 7.201 -0.583 0.00 0.00 O+0 HETATM 86 H UNK 0 2.953 8.322 1.459 0.00 0.00 H+0 HETATM 87 H UNK 0 4.048 8.067 2.826 0.00 0.00 H+0 HETATM 88 H UNK 0 4.715 7.822 1.204 0.00 0.00 H+0 HETATM 89 H UNK 0 3.752 5.690 2.816 0.00 0.00 H+0 HETATM 90 H UNK 0 2.171 3.930 2.165 0.00 0.00 H+0 HETATM 91 H UNK 0 3.170 4.359 -1.489 0.00 0.00 H+0 HETATM 92 H UNK 0 2.009 2.758 -2.562 0.00 0.00 H+0 HETATM 93 H UNK 0 2.709 1.346 -1.775 0.00 0.00 H+0 HETATM 94 H UNK 0 3.902 3.441 -3.649 0.00 0.00 H+0 HETATM 95 H UNK 0 5.027 2.305 -2.854 0.00 0.00 H+0 HETATM 96 H UNK 0 4.111 1.761 -5.000 0.00 0.00 H+0 HETATM 97 H UNK 0 5.065 4.182 -0.165 0.00 0.00 H+0 HETATM 98 H UNK 0 3.988 0.633 0.097 0.00 0.00 H+0 HETATM 99 H UNK 0 5.403 0.143 -1.012 0.00 0.00 H+0 HETATM 100 H UNK 0 5.966 1.254 1.696 0.00 0.00 H+0 HETATM 101 H UNK 0 7.727 0.525 0.463 0.00 0.00 H+0 HETATM 102 H UNK 0 7.571 -0.483 1.904 0.00 0.00 H+0 HETATM 103 H UNK 0 6.749 -2.362 0.558 0.00 0.00 H+0 HETATM 104 H UNK 0 6.771 -1.392 -0.956 0.00 0.00 H+0 HETATM 105 H UNK 0 8.720 -2.783 -0.798 0.00 0.00 H+0 HETATM 106 H UNK 0 9.293 -1.089 -0.540 0.00 0.00 H+0 HETATM 107 H UNK 0 10.306 -2.664 1.005 0.00 0.00 H+0 HETATM 108 H UNK 0 9.369 -1.449 1.887 0.00 0.00 H+0 HETATM 109 H UNK 0 7.736 -3.037 2.505 0.00 0.00 H+0 HETATM 110 H UNK 0 8.111 -4.112 1.052 0.00 0.00 H+0 HETATM 111 H UNK 0 9.242 -4.029 2.444 0.00 0.00 H+0 HETATM 112 H UNK 0 4.616 -0.044 2.978 0.00 0.00 H+0 HETATM 113 H UNK 0 4.359 -1.862 -0.349 0.00 0.00 H+0 HETATM 114 H UNK 0 4.365 -3.389 0.505 0.00 0.00 H+0 HETATM 115 H UNK 0 1.905 -1.638 0.777 0.00 0.00 H+0 HETATM 116 H UNK 0 3.007 -4.882 0.396 0.00 0.00 H+0 HETATM 117 H UNK 0 3.578 -4.822 -1.813 0.00 0.00 H+0 HETATM 118 H UNK 0 1.962 -5.132 -2.463 0.00 0.00 H+0 HETATM 119 H UNK 0 3.820 -7.024 -0.923 0.00 0.00 H+0 HETATM 120 H UNK 0 4.051 -8.058 -3.017 0.00 0.00 H+0 HETATM 121 H UNK 0 4.248 -6.249 -3.270 0.00 0.00 H+0 HETATM 122 H UNK 0 2.664 -7.087 -3.737 0.00 0.00 H+0 HETATM 123 H UNK 0 0.930 -7.371 -1.496 0.00 0.00 H+0 HETATM 124 H UNK 0 2.060 -8.544 -0.607 0.00 0.00 H+0 HETATM 125 H UNK 0 1.921 -8.536 -2.352 0.00 0.00 H+0 HETATM 126 H UNK 0 1.551 -6.601 0.606 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.231 -3.784 -0.019 0.00 0.00 H+0 HETATM 128 H UNK 0 -0.404 -5.170 -2.052 0.00 0.00 H+0 HETATM 129 H UNK 0 -1.462 -7.295 -0.875 0.00 0.00 H+0 HETATM 130 H UNK 0 -2.854 -6.941 -1.928 0.00 0.00 H+0 HETATM 131 H UNK 0 -1.281 -7.161 -2.705 0.00 0.00 H+0 HETATM 132 H UNK 0 -2.325 -4.722 -3.539 0.00 0.00 H+0 HETATM 133 H UNK 0 -1.942 -3.335 -2.528 0.00 0.00 H+0 HETATM 134 H UNK 0 -4.412 -3.975 -2.940 0.00 0.00 H+0 HETATM 135 H UNK 0 -3.875 -3.445 -1.351 0.00 0.00 H+0 HETATM 136 H UNK 0 -4.187 -5.185 -1.578 0.00 0.00 H+0 HETATM 137 H UNK 0 -2.971 -6.185 0.162 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.940 -4.048 2.757 0.00 0.00 H+0 HETATM 139 H UNK 0 -3.208 -2.782 4.299 0.00 0.00 H+0 HETATM 140 H UNK 0 -5.789 -3.823 3.807 0.00 0.00 H+0 HETATM 141 H UNK 0 -5.481 -2.775 2.424 0.00 0.00 H+0 HETATM 142 H UNK 0 -5.352 -2.131 4.092 0.00 0.00 H+0 HETATM 143 H UNK 0 -3.953 -5.634 3.491 0.00 0.00 H+0 HETATM 144 H UNK 0 -2.566 -5.077 4.458 0.00 0.00 H+0 HETATM 145 H UNK 0 -3.969 -5.830 6.053 0.00 0.00 H+0 HETATM 146 H UNK 0 -4.403 -4.114 6.122 0.00 0.00 H+0 HETATM 147 H UNK 0 -5.469 -5.340 5.250 0.00 0.00 H+0 HETATM 148 H UNK 0 -1.330 -2.116 1.764 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.590 -1.814 0.387 0.00 0.00 H+0 HETATM 150 H UNK 0 -5.671 -0.473 1.984 0.00 0.00 H+0 HETATM 151 H UNK 0 -4.831 1.006 1.554 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.913 0.836 -0.721 0.00 0.00 H+0 HETATM 153 H UNK 0 -6.908 2.124 1.132 0.00 0.00 H+0 HETATM 154 H UNK 0 -8.108 1.454 -0.026 0.00 0.00 H+0 HETATM 155 H UNK 0 -7.883 0.671 1.633 0.00 0.00 H+0 HETATM 156 H UNK 0 -7.676 -0.661 -1.132 0.00 0.00 H+0 HETATM 157 H UNK 0 -7.468 -1.533 0.401 0.00 0.00 H+0 HETATM 158 H UNK 0 -6.168 -1.566 -0.919 0.00 0.00 H+0 HETATM 159 H UNK 0 -3.737 -1.092 -1.504 0.00 0.00 H+0 HETATM 160 H UNK 0 -2.152 2.735 -1.442 0.00 0.00 H+0 HETATM 161 H UNK 0 -3.281 2.022 -3.463 0.00 0.00 H+0 HETATM 162 H UNK 0 -4.781 1.789 -2.564 0.00 0.00 H+0 HETATM 163 H UNK 0 -6.206 3.552 -2.034 0.00 0.00 H+0 HETATM 164 H UNK 0 -6.918 5.796 -2.418 0.00 0.00 H+0 HETATM 165 H UNK 0 -5.414 7.444 -3.509 0.00 0.00 H+0 HETATM 166 H UNK 0 -3.189 6.734 -4.189 0.00 0.00 H+0 HETATM 167 H UNK 0 -2.440 4.351 -3.764 0.00 0.00 H+0 HETATM 168 H UNK 0 -4.827 2.832 -0.268 0.00 0.00 H+0 HETATM 169 H UNK 0 -1.157 3.625 0.109 0.00 0.00 H+0 HETATM 170 H UNK 0 -0.090 3.261 2.198 0.00 0.00 H+0 HETATM 171 H UNK 0 -1.034 1.877 1.587 0.00 0.00 H+0 HETATM 172 H UNK 0 -1.200 2.220 4.056 0.00 0.00 H+0 HETATM 173 H UNK 0 -2.818 2.533 3.410 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.547 4.292 4.513 0.00 0.00 H+0 HETATM 175 H UNK 0 -2.297 5.482 2.202 0.00 0.00 H+0 HETATM 176 H UNK 0 -0.368 7.829 -0.028 0.00 0.00 H+0 HETATM 177 H UNK 0 -1.484 5.359 -1.451 0.00 0.00 H+0 HETATM 178 H UNK 0 -2.205 6.971 -1.148 0.00 0.00 H+0 HETATM 179 H UNK 0 -0.981 6.454 -3.368 0.00 0.00 H+0 HETATM 180 H UNK 0 -1.067 8.701 -2.138 0.00 0.00 H+0 HETATM 181 H UNK 0 0.573 5.054 -2.407 0.00 0.00 H+0 HETATM 182 H UNK 0 1.637 6.454 -2.845 0.00 0.00 H+0 CONECT 1 2 86 87 88 CONECT 2 1 3 89 CONECT 3 2 4 84 CONECT 4 3 5 90 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 11 91 CONECT 8 7 9 92 93 CONECT 9 8 10 94 95 CONECT 10 9 96 CONECT 11 7 12 97 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 98 99 CONECT 15 14 16 21 100 CONECT 16 15 17 101 102 CONECT 17 16 18 103 104 CONECT 18 17 19 105 106 CONECT 19 18 20 107 108 CONECT 20 19 109 110 111 CONECT 21 15 22 112 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 113 114 CONECT 25 24 26 115 CONECT 26 25 27 28 CONECT 27 26 CONECT 28 26 29 33 116 CONECT 29 28 30 117 118 CONECT 30 29 31 32 119 CONECT 31 30 120 121 122 CONECT 32 30 123 124 125 CONECT 33 28 34 126 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 41 127 CONECT 37 36 38 39 128 CONECT 38 37 129 130 131 CONECT 39 37 40 132 133 CONECT 40 39 134 135 136 CONECT 41 36 42 137 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 49 138 CONECT 45 44 46 47 139 CONECT 46 45 140 141 142 CONECT 47 45 48 143 144 CONECT 48 47 145 146 147 CONECT 49 44 50 148 CONECT 50 49 51 52 CONECT 51 50 CONECT 52 50 53 57 149 CONECT 53 52 54 150 151 CONECT 54 53 55 56 152 CONECT 55 54 153 154 155 CONECT 56 54 156 157 158 CONECT 57 52 58 159 CONECT 58 57 59 60 CONECT 59 58 CONECT 60 58 61 68 160 CONECT 61 60 62 161 162 CONECT 62 61 63 67 CONECT 63 62 64 163 CONECT 64 63 65 164 CONECT 65 64 66 165 CONECT 66 65 67 166 CONECT 67 66 62 167 CONECT 68 60 69 168 CONECT 69 68 70 71 CONECT 70 69 CONECT 71 69 72 75 169 CONECT 72 71 73 170 171 CONECT 73 72 74 172 173 CONECT 74 73 174 CONECT 75 71 76 175 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 79 83 176 CONECT 79 78 80 177 178 CONECT 80 79 81 82 179 CONECT 81 80 180 CONECT 82 80 83 181 182 CONECT 83 82 84 78 CONECT 84 83 85 3 CONECT 85 84 CONECT 86 1 CONECT 87 1 CONECT 88 1 CONECT 89 2 CONECT 90 4 CONECT 91 7 CONECT 92 8 CONECT 93 8 CONECT 94 9 CONECT 95 9 CONECT 96 10 CONECT 97 11 CONECT 98 14 CONECT 99 14 CONECT 100 15 CONECT 101 16 CONECT 102 16 CONECT 103 17 CONECT 104 17 CONECT 105 18 CONECT 106 18 CONECT 107 19 CONECT 108 19 CONECT 109 20 CONECT 110 20 CONECT 111 20 CONECT 112 21 CONECT 113 24 CONECT 114 24 CONECT 115 25 CONECT 116 28 CONECT 117 29 CONECT 118 29 CONECT 119 30 CONECT 120 31 CONECT 121 31 CONECT 122 31 CONECT 123 32 CONECT 124 32 CONECT 125 32 CONECT 126 33 CONECT 127 36 CONECT 128 37 CONECT 129 38 CONECT 130 38 CONECT 131 38 CONECT 132 39 CONECT 133 39 CONECT 134 40 CONECT 135 40 CONECT 136 40 CONECT 137 41 CONECT 138 44 CONECT 139 45 CONECT 140 46 CONECT 141 46 CONECT 142 46 CONECT 143 47 CONECT 144 47 CONECT 145 48 CONECT 146 48 CONECT 147 48 CONECT 148 49 CONECT 149 52 CONECT 150 53 CONECT 151 53 CONECT 152 54 CONECT 153 55 CONECT 154 55 CONECT 155 55 CONECT 156 56 CONECT 157 56 CONECT 158 56 CONECT 159 57 CONECT 160 60 CONECT 161 61 CONECT 162 61 CONECT 163 63 CONECT 164 64 CONECT 165 65 CONECT 166 66 CONECT 167 67 CONECT 168 68 CONECT 169 71 CONECT 170 72 CONECT 171 72 CONECT 172 73 CONECT 173 73 CONECT 174 74 CONECT 175 75 CONECT 176 78 CONECT 177 79 CONECT 178 79 CONECT 179 80 CONECT 180 81 CONECT 181 82 CONECT 182 82 MASTER 0 0 0 0 0 0 0 0 182 0 368 0 END SMILES for NP0006944 (Laxaphycin A)[H]OC([H])([H])C([H])([H])[C@]1([H])N([H])C(=O)C([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)\C(N([H])C1=O)=C(\[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C([H])([H])C([H])([H])O[H])C([H])([H])C1=C([H])C([H])=C([H])C([H])=C1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([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])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] INCHI for NP0006944 (Laxaphycin A)InChI=1S/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14+/t36-,37-,39-,40+,42-,43-,44-,45+,46+,47-,50+,51-/m0/s1 3D Structure for NP0006944 (Laxaphycin A) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C60H97N11O14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1196.4990 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1195.72165 Da | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (3S,6R,9R,12S,15R,18S,24S,28S,31E,35R,36aS)-6-benzyl-12,15-bis[(2S)-butan-2-yl]-31-ethylidene-35-hydroxy-3,28-bis(2-hydroxyethyl)-9,18-bis(2-methylpropyl)-24-pentyl-hexatriacontahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotetratriacontan-1,4,7,10,13,16,19,22,26,29,32-undecone | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (3S,6R,9R,12S,15R,18S,24S,28S,31E,35R,36aS)-6-benzyl-12,15-bis[(2S)-butan-2-yl]-31-ethylidene-35-hydroxy-3,28-bis(2-hydroxyethyl)-9,18-bis(2-methylpropyl)-24-pentyl-tetracosahydropyrrolo[1,2-g]1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotetratriacontan-1,4,7,10,13,16,19,22,26,29,32-undecone | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CCCCCC1CC(=O)N[C@@H](CCO)C(=O)N\C(=C\C)C(=O)N2C[C@H](O)CC2C(=O)N[C@@H](CCO)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C60H97N11O14/c1-11-15-17-22-39-30-48(75)63-42(23-25-72)53(78)64-41(14-4)60(85)71-33-40(74)31-47(71)57(82)65-43(24-26-73)54(79)67-46(29-38-20-18-16-19-21-38)55(80)66-45(28-35(7)8)56(81)69-51(37(10)13-3)59(84)70-50(36(9)12-2)58(83)68-44(27-34(5)6)52(77)61-32-49(76)62-39/h14,16,18-21,34-37,39-40,42-47,50-51,72-74H,11-13,15,17,22-33H2,1-10H3,(H,61,77)(H,62,76)(H,63,75)(H,64,78)(H,65,82)(H,66,80)(H,67,79)(H,68,83)(H,69,81)(H,70,84)/b41-14+/t36-,37-,39?,40+,42-,43-,44-,45+,46+,47?,50+,51-/m0/s1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | AQBJITSSPIIUAM-CCBYSCTGSA-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 | Aromatic heteropolycyclic 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 | NPA009432 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | C00016755 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 17214503 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 22833262 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | |||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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