Showing NP-Card for Salinixanthin (NP0004349)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-12-09 01:50:23 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:48:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0004349 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Salinixanthin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Salinixanthin is found in Salinibacter ruber. Salinixanthin was first documented in 2002 (PMID: 12350161). Based on a literature review a small amount of articles have been published on SALINIXANTHIN (PMID: 33361324) (PMID: 32948267) (PMID: 32814821) (PMID: 31804687). | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0004349 (Salinixanthin)
Mrv1652307012117523D
162163 0 0 0 0 999 V2000
7.3420 -4.8335 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2147 -4.5288 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1105 -3.9487 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2335 -3.7201 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2714 -3.1951 -2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2831 -2.9061 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4075 -3.1982 -4.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2364 -2.3538 -4.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 -1.9526 -5.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8238 -1.4303 -5.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -0.9094 -6.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 -0.8501 -8.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 -0.3878 -6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 0.2192 -7.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9858 0.6215 -7.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2284 1.2465 -7.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 1.4992 -6.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 1.0716 -4.8881 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2647 2.0544 -6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7193 2.1256 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9028 2.5552 -4.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8901 2.3871 -2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5843 1.7698 -2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9584 2.5349 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6187 2.3894 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3680 2.4304 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6390 2.2211 1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2004 1.9868 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3658 2.0732 3.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6835 1.8447 4.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1894 1.6582 5.4872 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2393 2.4343 5.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0929 1.6970 6.5314 C 0 0 2 0 0 0 0 0 0 0 0 0
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-6.9147 3.2039 6.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9356 1.1751 6.3082 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3817 0.0695 5.9118 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4651 0.3845 4.8964 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8364 -0.6407 4.2634 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3182 -0.3952 4.3427 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8964 0.7759 3.7304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8322 1.0698 2.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1581 0.1268 1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 2.3889 1.8789 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0892 2.8558 1.7596 C 0 0 1 0 0 0 0 0 0 0 0 0
0.9122 2.2479 0.7865 C 0 0 2 0 0 0 0 0 0 0 0 0
2.1778 3.0511 0.9103 C 0 0 2 0 0 0 0 0 0 0 0 0
3.3093 2.7844 0.0777 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0509 1.4618 0.0959 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2929 1.7069 -0.7391 C 0 0 1 0 0 0 0 0 0 0 0 0
6.2469 0.5563 -0.8491 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4893 1.1063 -1.5234 C 0 0 2 0 0 0 0 0 0 0 0 0
8.6363 0.2410 -1.7180 C 0 0 2 0 0 0 0 0 0 0 0 0
8.6643 -0.9144 -2.6186 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4805 -0.6861 -4.0837 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5256 0.2728 -4.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8150 -1.9981 -4.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1210 -1.9828 4.8850 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2633 -2.5436 4.2716 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1905 -2.0292 6.3554 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9653 -2.4665 6.8768 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4978 -0.6726 6.9480 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2222 -0.9432 8.1166 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9664 -3.6181 0.8519 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9392 -4.7404 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3678 -2.2663 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4275 -3.5252 2.3243 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1033 -4.7646 2.7889 C 0 0 2 0 0 0 0 0 0 0 0 0
6.3556 -4.8790 1.9422 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4252 -5.2564 2.4479 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1327 -5.3724 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8537 -3.9101 -0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 -5.5391 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 -3.9610 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3489 -3.0010 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4066 -4.2184 -4.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3161 -2.9696 -3.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4522 -2.5206 -5.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4215 -2.1548 -3.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6699 -2.0525 -6.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1785 -1.4154 -4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.5216 -8.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6762 -1.8412 -8.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2272 -0.1270 -8.9804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2351 -0.4670 -5.7266 H 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8969 0.1760 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7110 1.5574 -8.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 0.0338 -4.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0551 1.3398 -5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3719 1.6920 -3.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9261 2.3993 -6.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9144 1.7396 -4.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7926 2.9692 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4252 0.8227 -2.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7800 2.4539 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8030 1.3131 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9936 2.7296 -2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5237 2.3223 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4360 2.6082 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 2.1484 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9758 1.0092 2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8009 2.7643 2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4355 2.1402 3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5775 1.8089 4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5957 0.5780 5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2975 2.7854 6.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1863 0.1769 7.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4312 1.8505 8.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8878 1.0717 8.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8837 3.3072 7.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0117 3.8124 5.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6087 3.5035 7.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0379 -0.7531 5.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0514 -0.6626 3.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8358 -1.3107 3.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 -0.3950 5.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 2.5771 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0281 3.1305 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0582 3.9750 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3964 2.8865 2.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5187 2.3958 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1447 1.2098 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4451 3.1341 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 4.1272 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 2.8407 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0607 3.6425 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 1.2453 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4467 0.7088 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0007 2.0973 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8403 2.5826 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5809 0.2777 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8340 -0.3390 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8084 1.9416 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2266 1.6747 -2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8917 -0.1750 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5506 0.9034 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9907 -1.7316 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6920 -1.3879 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5068 -0.3615 -4.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2954 1.3293 -4.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4862 0.0963 -5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5471 -0.0430 -4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5007 -2.8792 -4.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9036 -1.9951 -5.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2449 -1.9197 -5.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2848 -2.6677 4.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1409 -2.5458 3.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 -2.7832 6.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 -2.7737 6.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5587 -0.1600 7.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2129 -1.8760 8.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4695 -4.7992 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2751 -4.5841 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5337 -5.6681 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 -1.6335 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3473 -2.2853 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3087 -1.6639 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5688 -3.1954 2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1868 -2.6868 2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 -5.6739 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5063 -4.5413 3.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 2 0 0 0 0
3 4 1 0 0 0 0
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6 8 2 0 0 0 0
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55 57 1 0 0 0 0
39 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
3 64 1 0 0 0 0
64 65 1 1 0 0 0
64 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
69 2 1 0 0 0 0
62 37 1 0 0 0 0
1 71 1 0 0 0 0
1 72 1 0 0 0 0
1 73 1 0 0 0 0
4 74 1 0 0 0 0
5 75 1 0 0 0 0
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10 81 1 0 0 0 0
12 82 1 0 0 0 0
12 83 1 0 0 0 0
12 84 1 0 0 0 0
13 85 1 0 0 0 0
14 86 1 0 0 0 0
15 87 1 0 0 0 0
16 88 1 0 0 0 0
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68162 1 0 0 0 0
M END
3D MOL for NP0004349 (Salinixanthin)
RDKit 3D
162163 0 0 0 0 0 0 0 0999 V2000
7.3420 -4.8335 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2147 -4.5288 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1105 -3.9487 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2335 -3.7201 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2714 -3.1951 -2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2831 -2.9061 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4075 -3.1982 -4.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2364 -2.3538 -4.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 -1.9526 -5.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8238 -1.4303 -5.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -0.9094 -6.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 -0.8501 -8.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 -0.3878 -6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 0.2192 -7.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9858 0.6215 -7.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2284 1.2465 -7.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 1.4992 -6.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 1.0716 -4.8881 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2647 2.0544 -6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7193 2.1256 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9028 2.5552 -4.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8901 2.3871 -2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5843 1.7698 -2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9584 2.5349 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6187 2.3894 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3680 2.4304 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6390 2.2211 1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2004 1.9868 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3658 2.0732 3.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6835 1.8447 4.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1894 1.6582 5.4872 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2393 2.4343 5.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0929 1.6970 6.5314 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.6972 1.1389 7.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9147 3.2039 6.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9356 1.1751 6.3082 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3817 0.0695 5.9118 C 0 0 1 0 0 0 0 0 0 0 0 0
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-3.8364 -0.6407 4.2634 C 0 0 1 0 0 0 0 0 0 0 0 0
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-1.8964 0.7759 3.7304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8322 1.0698 2.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1581 0.1268 1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 2.3889 1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0892 2.8558 1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9122 2.2479 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 3.0511 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3093 2.7844 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0509 1.4618 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D SDF for NP0004349 (Salinixanthin)
Mrv1652307012117523D
162163 0 0 0 0 999 V2000
7.3420 -4.8335 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.9847 -1.9526 -5.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.5068 -0.3615 -4.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2954 1.3293 -4.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4862 0.0963 -5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5471 -0.0430 -4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5007 -2.8792 -4.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9036 -1.9951 -5.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2449 -1.9197 -5.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2848 -2.6677 4.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1409 -2.5458 3.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 -2.7832 6.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 -2.7737 6.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5587 -0.1600 7.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2129 -1.8760 8.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4695 -4.7992 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2751 -4.5841 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5337 -5.6681 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 -1.6335 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3473 -2.2853 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3087 -1.6639 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5688 -3.1954 2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1868 -2.6868 2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 -5.6739 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5063 -4.5413 3.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
6 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
17 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
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22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
33 36 1 6 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
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
39 58 1 0 0 0 0
58 59 1 0 0 0 0
58 60 1 0 0 0 0
60 61 1 0 0 0 0
60 62 1 0 0 0 0
62 63 1 0 0 0 0
3 64 1 0 0 0 0
64 65 1 1 0 0 0
64 66 1 0 0 0 0
64 67 1 0 0 0 0
67 68 1 0 0 0 0
68 69 1 0 0 0 0
69 70 2 0 0 0 0
69 2 1 0 0 0 0
62 37 1 0 0 0 0
1 71 1 0 0 0 0
1 72 1 0 0 0 0
1 73 1 0 0 0 0
4 74 1 0 0 0 0
5 75 1 0 0 0 0
7 76 1 0 0 0 0
7 77 1 0 0 0 0
7 78 1 0 0 0 0
8 79 1 0 0 0 0
9 80 1 0 0 0 0
10 81 1 0 0 0 0
12 82 1 0 0 0 0
12 83 1 0 0 0 0
12 84 1 0 0 0 0
13 85 1 0 0 0 0
14 86 1 0 0 0 0
15 87 1 0 0 0 0
16 88 1 0 0 0 0
18 89 1 0 0 0 0
18 90 1 0 0 0 0
18 91 1 0 0 0 0
19 92 1 0 0 0 0
20 93 1 0 0 0 0
21 94 1 0 0 0 0
23 95 1 0 0 0 0
23 96 1 0 0 0 0
23 97 1 0 0 0 0
24 98 1 0 0 0 0
25 99 1 0 0 0 0
26100 1 0 0 0 0
28101 1 0 0 0 0
28102 1 0 0 0 0
28103 1 0 0 0 0
29104 1 0 0 0 0
30105 1 0 0 0 0
31106 1 6 0 0 0
32107 1 0 0 0 0
34108 1 0 0 0 0
34109 1 0 0 0 0
34110 1 0 0 0 0
35111 1 0 0 0 0
35112 1 0 0 0 0
35113 1 0 0 0 0
37114 1 6 0 0 0
39115 1 6 0 0 0
40116 1 0 0 0 0
40117 1 0 0 0 0
44118 1 0 0 0 0
44119 1 0 0 0 0
45120 1 0 0 0 0
45121 1 0 0 0 0
46122 1 0 0 0 0
46123 1 0 0 0 0
47124 1 0 0 0 0
47125 1 0 0 0 0
48126 1 0 0 0 0
48127 1 0 0 0 0
49128 1 0 0 0 0
49129 1 0 0 0 0
50130 1 0 0 0 0
50131 1 0 0 0 0
51132 1 0 0 0 0
51133 1 0 0 0 0
52134 1 0 0 0 0
52135 1 0 0 0 0
53136 1 0 0 0 0
53137 1 0 0 0 0
54138 1 0 0 0 0
54139 1 0 0 0 0
55140 1 1 0 0 0
56141 1 0 0 0 0
56142 1 0 0 0 0
56143 1 0 0 0 0
57144 1 0 0 0 0
57145 1 0 0 0 0
57146 1 0 0 0 0
58147 1 6 0 0 0
59148 1 0 0 0 0
60149 1 6 0 0 0
61150 1 0 0 0 0
62151 1 1 0 0 0
63152 1 0 0 0 0
65153 1 0 0 0 0
65154 1 0 0 0 0
65155 1 0 0 0 0
66156 1 0 0 0 0
66157 1 0 0 0 0
66158 1 0 0 0 0
67159 1 0 0 0 0
67160 1 0 0 0 0
68161 1 0 0 0 0
68162 1 0 0 0 0
M END
> <DATABASE_ID>
NP0004349
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]O[C@@]([H])(C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C(O[C@@]1([H])O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H])(C([H])([H])[H])C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54-,56-,57+,58-,59+/m0/s1
> <INCHI_KEY>
BUNXUZXQWPTVHM-XGQIOHMRSA-N
> <FORMULA>
C61H92O9
> <MOLECULAR_WEIGHT>
969.398
> <EXACT_MASS>
968.674134542
> <JCHEM_ACCEPTOR_COUNT>
8
> <JCHEM_ATOM_COUNT>
162
> <JCHEM_AVERAGE_POLARIZABILITY>
119.8106635571473
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
4
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}oxan-2-yl]methyl 13-methyltetradecanoate
> <ALOGPS_LOGP>
9.18
> <JCHEM_LOGP>
13.062320114000004
> <ALOGPS_LOGS>
-6.27
> <JCHEM_MDDR_LIKE_RULE>
0
> <JCHEM_NUMBER_OF_RINGS>
2
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
13.086376180386242
> <JCHEM_PKA_STRONGEST_ACIDIC>
12.194872300985208
> <JCHEM_PKA_STRONGEST_BASIC>
-3.4040243239705994
> <JCHEM_POLAR_SURFACE_AREA>
142.75
> <JCHEM_REFRACTIVITY>
300.0635999999999
> <JCHEM_ROTATABLE_BOND_COUNT>
30
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
5.16e-04 g/l
> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}oxan-2-yl]methyl 13-methyltetradecanoate
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0004349 (Salinixanthin)
RDKit 3D
162163 0 0 0 0 0 0 0 0999 V2000
7.3420 -4.8335 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2147 -4.5288 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1105 -3.9487 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2335 -3.7201 -1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2714 -3.1951 -2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2831 -2.9061 -3.5881 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4075 -3.1982 -4.5166 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2364 -2.3538 -4.1326 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9847 -1.9526 -5.5063 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8238 -1.4303 -5.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2425 -0.9094 -6.9775 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7769 -0.8501 -8.3143 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 -0.3878 -6.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9165 0.2192 -7.7049 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9858 0.6215 -7.0545 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2284 1.2465 -7.2629 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 1.4992 -6.1211 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1699 1.0716 -4.8881 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2647 2.0544 -6.0164 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7193 2.1256 -4.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9028 2.5552 -4.1161 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8901 2.3871 -2.7577 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5843 1.7698 -2.2543 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9584 2.5349 -1.8235 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6187 2.3894 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3680 2.4304 0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6390 2.2211 1.7766 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2004 1.9868 1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3658 2.0732 3.0376 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6835 1.8447 4.1506 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1894 1.6582 5.4872 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2393 2.4343 5.8206 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0929 1.6970 6.5314 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.6972 1.1389 7.8202 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9147 3.2039 6.8418 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9356 1.1751 6.3082 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3817 0.0695 5.9118 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.4651 0.3845 4.8964 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8364 -0.6407 4.2634 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3182 -0.3952 4.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 0.7759 3.7304 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8322 1.0698 2.3585 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1581 0.1268 1.6010 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4177 2.3889 1.8789 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0892 2.8558 1.7596 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9122 2.2479 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1778 3.0511 0.9103 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3093 2.7844 0.0777 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0509 1.4618 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2929 1.7069 -0.7391 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2469 0.5563 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4893 1.1063 -1.5234 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6363 0.2410 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6643 -0.9144 -2.6186 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4805 -0.6861 -4.0837 C 0 0 1 0 0 0 0 0 0 0 0 0
9.5256 0.2728 -4.6683 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8150 -1.9981 -4.8529 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1210 -1.9828 4.8850 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2633 -2.5436 4.2716 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1905 -2.0292 6.3554 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9653 -2.4665 6.8768 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4978 -0.6726 6.9480 C 0 0 2 0 0 0 0 0 0 0 0 0
-5.2222 -0.9432 8.1166 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9664 -3.6181 0.8519 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9392 -4.7404 0.8524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3678 -2.2663 0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4275 -3.5252 2.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1033 -4.7646 2.7889 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3556 -4.8790 1.9422 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4252 -5.2564 2.4479 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1327 -5.3724 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8537 -3.9101 -0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0791 -5.5391 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1308 -3.9610 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3489 -3.0010 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4066 -4.2184 -4.8902 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3161 -2.9696 -3.9075 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4522 -2.5206 -5.3905 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4215 -2.1548 -3.3685 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6699 -2.0525 -6.2903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1785 -1.4154 -4.8137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8416 -0.5216 -8.3891 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6762 -1.8412 -8.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2272 -0.1270 -8.9804 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2351 -0.4670 -5.7266 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9605 0.4201 -8.7271 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8969 0.1760 -5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7110 1.5574 -8.1559 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2512 0.0338 -4.6483 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0551 1.3398 -5.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3719 1.6920 -3.9883 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9261 2.3993 -6.7215 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9144 1.7396 -4.1058 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7926 2.9692 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4252 0.8227 -2.8705 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7800 2.4539 -2.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8030 1.3131 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9936 2.7296 -2.0305 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5237 2.3223 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4360 2.6082 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5906 2.1484 0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9758 1.0092 2.3173 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8009 2.7643 2.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4355 2.1402 3.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5775 1.8089 4.0176 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5957 0.5780 5.6130 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2975 2.7854 6.7374 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1863 0.1769 7.7121 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4312 1.8505 8.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8878 1.0717 8.6052 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8837 3.3072 7.2295 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0117 3.8124 5.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6087 3.5035 7.6241 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0379 -0.7531 5.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0514 -0.6626 3.1543 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8358 -1.3107 3.8827 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9725 -0.3950 5.3909 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9667 2.5771 0.8562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0281 3.1305 2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0582 3.9750 1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3964 2.8865 2.7907 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5187 2.3958 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1447 1.2098 1.0166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4451 3.1341 2.0258 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8227 4.1272 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9751 2.8407 -1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0607 3.6425 0.0699 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3345 1.2453 1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4467 0.7088 -0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0007 2.0973 -1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8403 2.5826 -0.2772 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5809 0.2777 0.1874 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8340 -0.3390 -1.3068 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8084 1.9416 -0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2266 1.6747 -2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8917 -0.1750 -0.6547 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5506 0.9034 -1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9907 -1.7316 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6920 -1.3879 -2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5068 -0.3615 -4.4185 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2954 1.3293 -4.5158 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4862 0.0963 -5.7870 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5471 -0.0430 -4.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5007 -2.8792 -4.2962 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9036 -1.9951 -5.1123 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2449 -1.9197 -5.7976 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2848 -2.6677 4.5382 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1409 -2.5458 3.3025 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9698 -2.7832 6.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3488 -2.7737 6.1594 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5587 -0.1600 7.1444 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2129 -1.8760 8.3851 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4695 -4.7992 -0.1313 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2751 -4.5841 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5337 -5.6681 1.0551 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0513 -1.6335 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3473 -2.2853 0.1604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3087 -1.6639 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5688 -3.1954 2.9234 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1868 -2.6868 2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5072 -5.6739 2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5063 -4.5413 3.8216 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
6 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
11 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
17 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
22 24 1 0
24 25 2 0
25 26 1 0
26 27 2 0
27 28 1 0
27 29 1 0
29 30 2 0
30 31 1 0
31 32 1 0
31 33 1 0
33 34 1 0
33 35 1 0
33 36 1 6
36 37 1 0
37 38 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
42 43 2 0
42 44 1 0
44 45 1 0
45 46 1 0
46 47 1 0
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
54 55 1 0
55 56 1 0
55 57 1 0
39 58 1 0
58 59 1 0
58 60 1 0
60 61 1 0
60 62 1 0
62 63 1 0
3 64 1 0
64 65 1 1
64 66 1 0
64 67 1 0
67 68 1 0
68 69 1 0
69 70 2 0
69 2 1 0
62 37 1 0
1 71 1 0
1 72 1 0
1 73 1 0
4 74 1 0
5 75 1 0
7 76 1 0
7 77 1 0
7 78 1 0
8 79 1 0
9 80 1 0
10 81 1 0
12 82 1 0
12 83 1 0
12 84 1 0
13 85 1 0
14 86 1 0
15 87 1 0
16 88 1 0
18 89 1 0
18 90 1 0
18 91 1 0
19 92 1 0
20 93 1 0
21 94 1 0
23 95 1 0
23 96 1 0
23 97 1 0
24 98 1 0
25 99 1 0
26100 1 0
28101 1 0
28102 1 0
28103 1 0
29104 1 0
30105 1 0
31106 1 6
32107 1 0
34108 1 0
34109 1 0
34110 1 0
35111 1 0
35112 1 0
35113 1 0
37114 1 6
39115 1 6
40116 1 0
40117 1 0
44118 1 0
44119 1 0
45120 1 0
45121 1 0
46122 1 0
46123 1 0
47124 1 0
47125 1 0
48126 1 0
48127 1 0
49128 1 0
49129 1 0
50130 1 0
50131 1 0
51132 1 0
51133 1 0
52134 1 0
52135 1 0
53136 1 0
53137 1 0
54138 1 0
54139 1 0
55140 1 1
56141 1 0
56142 1 0
56143 1 0
57144 1 0
57145 1 0
57146 1 0
58147 1 6
59148 1 0
60149 1 6
61150 1 0
62151 1 1
63152 1 0
65153 1 0
65154 1 0
65155 1 0
66156 1 0
66157 1 0
66158 1 0
67159 1 0
67160 1 0
68161 1 0
68162 1 0
M END
PDB for NP0004349 (Salinixanthin)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 7.342 -4.833 -0.341 0.00 0.00 C+0 HETATM 2 C UNK 0 6.215 -4.529 0.548 0.00 0.00 C+0 HETATM 3 C UNK 0 5.111 -3.949 0.003 0.00 0.00 C+0 HETATM 4 C UNK 0 5.234 -3.720 -1.431 0.00 0.00 C+0 HETATM 5 C UNK 0 4.271 -3.195 -2.159 0.00 0.00 C+0 HETATM 6 C UNK 0 4.283 -2.906 -3.588 0.00 0.00 C+0 HETATM 7 C UNK 0 5.407 -3.198 -4.517 0.00 0.00 C+0 HETATM 8 C UNK 0 3.236 -2.354 -4.133 0.00 0.00 C+0 HETATM 9 C UNK 0 2.985 -1.953 -5.506 0.00 0.00 C+0 HETATM 10 C UNK 0 1.824 -1.430 -5.760 0.00 0.00 C+0 HETATM 11 C UNK 0 1.242 -0.909 -6.978 0.00 0.00 C+0 HETATM 12 C UNK 0 1.777 -0.850 -8.314 0.00 0.00 C+0 HETATM 13 C UNK 0 0.025 -0.388 -6.825 0.00 0.00 C+0 HETATM 14 C UNK 0 -0.917 0.219 -7.705 0.00 0.00 C+0 HETATM 15 C UNK 0 -1.986 0.622 -7.054 0.00 0.00 C+0 HETATM 16 C UNK 0 -3.228 1.246 -7.263 0.00 0.00 C+0 HETATM 17 C UNK 0 -3.930 1.499 -6.121 0.00 0.00 C+0 HETATM 18 C UNK 0 -3.170 1.072 -4.888 0.00 0.00 C+0 HETATM 19 C UNK 0 -5.265 2.054 -6.016 0.00 0.00 C+0 HETATM 20 C UNK 0 -5.719 2.126 -4.769 0.00 0.00 C+0 HETATM 21 C UNK 0 -6.903 2.555 -4.116 0.00 0.00 C+0 HETATM 22 C UNK 0 -6.890 2.387 -2.758 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.584 1.770 -2.254 0.00 0.00 C+0 HETATM 24 C UNK 0 -7.958 2.535 -1.823 0.00 0.00 C+0 HETATM 25 C UNK 0 -7.619 2.389 -0.550 0.00 0.00 C+0 HETATM 26 C UNK 0 -8.368 2.430 0.646 0.00 0.00 C+0 HETATM 27 C UNK 0 -7.639 2.221 1.777 0.00 0.00 C+0 HETATM 28 C UNK 0 -6.200 1.987 1.805 0.00 0.00 C+0 HETATM 29 C UNK 0 -8.366 2.073 3.038 0.00 0.00 C+0 HETATM 30 C UNK 0 -7.684 1.845 4.151 0.00 0.00 C+0 HETATM 31 C UNK 0 -8.189 1.658 5.487 0.00 0.00 C+0 HETATM 32 O UNK 0 -9.239 2.434 5.821 0.00 0.00 O+0 HETATM 33 C UNK 0 -7.093 1.697 6.531 0.00 0.00 C+0 HETATM 34 C UNK 0 -7.697 1.139 7.820 0.00 0.00 C+0 HETATM 35 C UNK 0 -6.915 3.204 6.842 0.00 0.00 C+0 HETATM 36 O UNK 0 -5.936 1.175 6.308 0.00 0.00 O+0 HETATM 37 C UNK 0 -5.382 0.070 5.912 0.00 0.00 C+0 HETATM 38 O UNK 0 -4.465 0.385 4.896 0.00 0.00 O+0 HETATM 39 C UNK 0 -3.836 -0.641 4.263 0.00 0.00 C+0 HETATM 40 C UNK 0 -2.318 -0.395 4.343 0.00 0.00 C+0 HETATM 41 O UNK 0 -1.896 0.776 3.730 0.00 0.00 O+0 HETATM 42 C UNK 0 -1.832 1.070 2.358 0.00 0.00 C+0 HETATM 43 O UNK 0 -2.158 0.127 1.601 0.00 0.00 O+0 HETATM 44 C UNK 0 -1.418 2.389 1.879 0.00 0.00 C+0 HETATM 45 C UNK 0 -0.089 2.856 1.760 0.00 0.00 C+0 HETATM 46 C UNK 0 0.912 2.248 0.787 0.00 0.00 C+0 HETATM 47 C UNK 0 2.178 3.051 0.910 0.00 0.00 C+0 HETATM 48 C UNK 0 3.309 2.784 0.078 0.00 0.00 C+0 HETATM 49 C UNK 0 4.051 1.462 0.096 0.00 0.00 C+0 HETATM 50 C UNK 0 5.293 1.707 -0.739 0.00 0.00 C+0 HETATM 51 C UNK 0 6.247 0.556 -0.849 0.00 0.00 C+0 HETATM 52 C UNK 0 7.489 1.106 -1.523 0.00 0.00 C+0 HETATM 53 C UNK 0 8.636 0.241 -1.718 0.00 0.00 C+0 HETATM 54 C UNK 0 8.664 -0.914 -2.619 0.00 0.00 C+0 HETATM 55 C UNK 0 8.480 -0.686 -4.084 0.00 0.00 C+0 HETATM 56 C UNK 0 9.526 0.273 -4.668 0.00 0.00 C+0 HETATM 57 C UNK 0 8.815 -1.998 -4.853 0.00 0.00 C+0 HETATM 58 C UNK 0 -4.121 -1.983 4.885 0.00 0.00 C+0 HETATM 59 O UNK 0 -5.263 -2.544 4.272 0.00 0.00 O+0 HETATM 60 C UNK 0 -4.191 -2.029 6.355 0.00 0.00 C+0 HETATM 61 O UNK 0 -2.965 -2.466 6.877 0.00 0.00 O+0 HETATM 62 C UNK 0 -4.498 -0.673 6.948 0.00 0.00 C+0 HETATM 63 O UNK 0 -5.222 -0.943 8.117 0.00 0.00 O+0 HETATM 64 C UNK 0 3.966 -3.618 0.852 0.00 0.00 C+0 HETATM 65 C UNK 0 2.939 -4.740 0.852 0.00 0.00 C+0 HETATM 66 C UNK 0 3.368 -2.266 0.591 0.00 0.00 C+0 HETATM 67 C UNK 0 4.428 -3.525 2.324 0.00 0.00 C+0 HETATM 68 C UNK 0 5.103 -4.765 2.789 0.00 0.00 C+0 HETATM 69 C UNK 0 6.356 -4.879 1.942 0.00 0.00 C+0 HETATM 70 O UNK 0 7.425 -5.256 2.448 0.00 0.00 O+0 HETATM 71 H UNK 0 8.133 -5.372 0.236 0.00 0.00 H+0 HETATM 72 H UNK 0 7.854 -3.910 -0.707 0.00 0.00 H+0 HETATM 73 H UNK 0 7.079 -5.539 -1.182 0.00 0.00 H+0 HETATM 74 H UNK 0 6.131 -3.961 -1.996 0.00 0.00 H+0 HETATM 75 H UNK 0 3.349 -3.001 -1.650 0.00 0.00 H+0 HETATM 76 H UNK 0 5.407 -4.218 -4.890 0.00 0.00 H+0 HETATM 77 H UNK 0 6.316 -2.970 -3.908 0.00 0.00 H+0 HETATM 78 H UNK 0 5.452 -2.521 -5.391 0.00 0.00 H+0 HETATM 79 H UNK 0 2.422 -2.155 -3.369 0.00 0.00 H+0 HETATM 80 H UNK 0 3.670 -2.053 -6.290 0.00 0.00 H+0 HETATM 81 H UNK 0 1.179 -1.415 -4.814 0.00 0.00 H+0 HETATM 82 H UNK 0 2.842 -0.522 -8.389 0.00 0.00 H+0 HETATM 83 H UNK 0 1.676 -1.841 -8.855 0.00 0.00 H+0 HETATM 84 H UNK 0 1.227 -0.127 -8.980 0.00 0.00 H+0 HETATM 85 H UNK 0 -0.235 -0.467 -5.727 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.961 0.420 -8.727 0.00 0.00 H+0 HETATM 87 H UNK 0 -1.897 0.176 -5.995 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.711 1.557 -8.156 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.251 0.034 -4.648 0.00 0.00 H+0 HETATM 90 H UNK 0 -2.055 1.340 -5.019 0.00 0.00 H+0 HETATM 91 H UNK 0 -3.372 1.692 -3.988 0.00 0.00 H+0 HETATM 92 H UNK 0 -5.926 2.399 -6.721 0.00 0.00 H+0 HETATM 93 H UNK 0 -4.914 1.740 -4.106 0.00 0.00 H+0 HETATM 94 H UNK 0 -7.793 2.969 -4.473 0.00 0.00 H+0 HETATM 95 H UNK 0 -5.425 0.823 -2.870 0.00 0.00 H+0 HETATM 96 H UNK 0 -4.780 2.454 -2.221 0.00 0.00 H+0 HETATM 97 H UNK 0 -5.803 1.313 -1.270 0.00 0.00 H+0 HETATM 98 H UNK 0 -8.994 2.730 -2.030 0.00 0.00 H+0 HETATM 99 H UNK 0 -6.524 2.322 -0.419 0.00 0.00 H+0 HETATM 100 H UNK 0 -9.436 2.608 0.725 0.00 0.00 H+0 HETATM 101 H UNK 0 -5.591 2.148 0.949 0.00 0.00 H+0 HETATM 102 H UNK 0 -5.976 1.009 2.317 0.00 0.00 H+0 HETATM 103 H UNK 0 -5.801 2.764 2.574 0.00 0.00 H+0 HETATM 104 H UNK 0 -9.435 2.140 3.100 0.00 0.00 H+0 HETATM 105 H UNK 0 -6.577 1.809 4.018 0.00 0.00 H+0 HETATM 106 H UNK 0 -8.596 0.578 5.613 0.00 0.00 H+0 HETATM 107 H UNK 0 -9.297 2.785 6.737 0.00 0.00 H+0 HETATM 108 H UNK 0 -8.186 0.177 7.712 0.00 0.00 H+0 HETATM 109 H UNK 0 -8.431 1.851 8.288 0.00 0.00 H+0 HETATM 110 H UNK 0 -6.888 1.072 8.605 0.00 0.00 H+0 HETATM 111 H UNK 0 -5.884 3.307 7.229 0.00 0.00 H+0 HETATM 112 H UNK 0 -7.012 3.812 5.915 0.00 0.00 H+0 HETATM 113 H UNK 0 -7.609 3.503 7.624 0.00 0.00 H+0 HETATM 114 H UNK 0 -6.038 -0.753 5.550 0.00 0.00 H+0 HETATM 115 H UNK 0 -4.051 -0.663 3.154 0.00 0.00 H+0 HETATM 116 H UNK 0 -1.836 -1.311 3.883 0.00 0.00 H+0 HETATM 117 H UNK 0 -1.972 -0.395 5.391 0.00 0.00 H+0 HETATM 118 H UNK 0 -1.967 2.577 0.856 0.00 0.00 H+0 HETATM 119 H UNK 0 -2.028 3.131 2.513 0.00 0.00 H+0 HETATM 120 H UNK 0 -0.058 3.975 1.499 0.00 0.00 H+0 HETATM 121 H UNK 0 0.396 2.886 2.791 0.00 0.00 H+0 HETATM 122 H UNK 0 0.519 2.396 -0.236 0.00 0.00 H+0 HETATM 123 H UNK 0 1.145 1.210 1.017 0.00 0.00 H+0 HETATM 124 H UNK 0 2.445 3.134 2.026 0.00 0.00 H+0 HETATM 125 H UNK 0 1.823 4.127 0.671 0.00 0.00 H+0 HETATM 126 H UNK 0 2.975 2.841 -1.046 0.00 0.00 H+0 HETATM 127 H UNK 0 4.061 3.643 0.070 0.00 0.00 H+0 HETATM 128 H UNK 0 4.335 1.245 1.116 0.00 0.00 H+0 HETATM 129 H UNK 0 3.447 0.709 -0.417 0.00 0.00 H+0 HETATM 130 H UNK 0 5.001 2.097 -1.751 0.00 0.00 H+0 HETATM 131 H UNK 0 5.840 2.583 -0.277 0.00 0.00 H+0 HETATM 132 H UNK 0 6.581 0.278 0.187 0.00 0.00 H+0 HETATM 133 H UNK 0 5.834 -0.339 -1.307 0.00 0.00 H+0 HETATM 134 H UNK 0 7.808 1.942 -0.807 0.00 0.00 H+0 HETATM 135 H UNK 0 7.227 1.675 -2.449 0.00 0.00 H+0 HETATM 136 H UNK 0 8.892 -0.175 -0.655 0.00 0.00 H+0 HETATM 137 H UNK 0 9.551 0.903 -1.900 0.00 0.00 H+0 HETATM 138 H UNK 0 7.991 -1.732 -2.244 0.00 0.00 H+0 HETATM 139 H UNK 0 9.692 -1.388 -2.512 0.00 0.00 H+0 HETATM 140 H UNK 0 7.507 -0.362 -4.418 0.00 0.00 H+0 HETATM 141 H UNK 0 9.295 1.329 -4.516 0.00 0.00 H+0 HETATM 142 H UNK 0 9.486 0.096 -5.787 0.00 0.00 H+0 HETATM 143 H UNK 0 10.547 -0.043 -4.363 0.00 0.00 H+0 HETATM 144 H UNK 0 8.501 -2.879 -4.296 0.00 0.00 H+0 HETATM 145 H UNK 0 9.904 -1.995 -5.112 0.00 0.00 H+0 HETATM 146 H UNK 0 8.245 -1.920 -5.798 0.00 0.00 H+0 HETATM 147 H UNK 0 -3.285 -2.668 4.538 0.00 0.00 H+0 HETATM 148 H UNK 0 -5.141 -2.546 3.303 0.00 0.00 H+0 HETATM 149 H UNK 0 -4.970 -2.783 6.673 0.00 0.00 H+0 HETATM 150 H UNK 0 -2.349 -2.774 6.159 0.00 0.00 H+0 HETATM 151 H UNK 0 -3.559 -0.160 7.144 0.00 0.00 H+0 HETATM 152 H UNK 0 -5.213 -1.876 8.385 0.00 0.00 H+0 HETATM 153 H UNK 0 2.470 -4.799 -0.131 0.00 0.00 H+0 HETATM 154 H UNK 0 2.275 -4.584 1.703 0.00 0.00 H+0 HETATM 155 H UNK 0 3.534 -5.668 1.055 0.00 0.00 H+0 HETATM 156 H UNK 0 4.051 -1.634 -0.002 0.00 0.00 H+0 HETATM 157 H UNK 0 2.347 -2.285 0.160 0.00 0.00 H+0 HETATM 158 H UNK 0 3.309 -1.664 1.574 0.00 0.00 H+0 HETATM 159 H UNK 0 3.569 -3.195 2.923 0.00 0.00 H+0 HETATM 160 H UNK 0 5.187 -2.687 2.343 0.00 0.00 H+0 HETATM 161 H UNK 0 4.507 -5.674 2.796 0.00 0.00 H+0 HETATM 162 H UNK 0 5.506 -4.541 3.822 0.00 0.00 H+0 CONECT 1 2 71 72 73 CONECT 2 1 3 69 CONECT 3 2 4 64 CONECT 4 3 5 74 CONECT 5 4 6 75 CONECT 6 5 7 8 CONECT 7 6 76 77 78 CONECT 8 6 9 79 CONECT 9 8 10 80 CONECT 10 9 11 81 CONECT 11 10 12 13 CONECT 12 11 82 83 84 CONECT 13 11 14 85 CONECT 14 13 15 86 CONECT 15 14 16 87 CONECT 16 15 17 88 CONECT 17 16 18 19 CONECT 18 17 89 90 91 CONECT 19 17 20 92 CONECT 20 19 21 93 CONECT 21 20 22 94 CONECT 22 21 23 24 CONECT 23 22 95 96 97 CONECT 24 22 25 98 CONECT 25 24 26 99 CONECT 26 25 27 100 CONECT 27 26 28 29 CONECT 28 27 101 102 103 CONECT 29 27 30 104 CONECT 30 29 31 105 CONECT 31 30 32 33 106 CONECT 32 31 107 CONECT 33 31 34 35 36 CONECT 34 33 108 109 110 CONECT 35 33 111 112 113 CONECT 36 33 37 CONECT 37 36 38 62 114 CONECT 38 37 39 CONECT 39 38 40 58 115 CONECT 40 39 41 116 117 CONECT 41 40 42 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 118 119 CONECT 45 44 46 120 121 CONECT 46 45 47 122 123 CONECT 47 46 48 124 125 CONECT 48 47 49 126 127 CONECT 49 48 50 128 129 CONECT 50 49 51 130 131 CONECT 51 50 52 132 133 CONECT 52 51 53 134 135 CONECT 53 52 54 136 137 CONECT 54 53 55 138 139 CONECT 55 54 56 57 140 CONECT 56 55 141 142 143 CONECT 57 55 144 145 146 CONECT 58 39 59 60 147 CONECT 59 58 148 CONECT 60 58 61 62 149 CONECT 61 60 150 CONECT 62 60 63 37 151 CONECT 63 62 152 CONECT 64 3 65 66 67 CONECT 65 64 153 154 155 CONECT 66 64 156 157 158 CONECT 67 64 68 159 160 CONECT 68 67 69 161 162 CONECT 69 68 70 2 CONECT 70 69 CONECT 71 1 CONECT 72 1 CONECT 73 1 CONECT 74 4 CONECT 75 5 CONECT 76 7 CONECT 77 7 CONECT 78 7 CONECT 79 8 CONECT 80 9 CONECT 81 10 CONECT 82 12 CONECT 83 12 CONECT 84 12 CONECT 85 13 CONECT 86 14 CONECT 87 15 CONECT 88 16 CONECT 89 18 CONECT 90 18 CONECT 91 18 CONECT 92 19 CONECT 93 20 CONECT 94 21 CONECT 95 23 CONECT 96 23 CONECT 97 23 CONECT 98 24 CONECT 99 25 CONECT 100 26 CONECT 101 28 CONECT 102 28 CONECT 103 28 CONECT 104 29 CONECT 105 30 CONECT 106 31 CONECT 107 32 CONECT 108 34 CONECT 109 34 CONECT 110 34 CONECT 111 35 CONECT 112 35 CONECT 113 35 CONECT 114 37 CONECT 115 39 CONECT 116 40 CONECT 117 40 CONECT 118 44 CONECT 119 44 CONECT 120 45 CONECT 121 45 CONECT 122 46 CONECT 123 46 CONECT 124 47 CONECT 125 47 CONECT 126 48 CONECT 127 48 CONECT 128 49 CONECT 129 49 CONECT 130 50 CONECT 131 50 CONECT 132 51 CONECT 133 51 CONECT 134 52 CONECT 135 52 CONECT 136 53 CONECT 137 53 CONECT 138 54 CONECT 139 54 CONECT 140 55 CONECT 141 56 CONECT 142 56 CONECT 143 56 CONECT 144 57 CONECT 145 57 CONECT 146 57 CONECT 147 58 CONECT 148 59 CONECT 149 60 CONECT 150 61 CONECT 151 62 CONECT 152 63 CONECT 153 65 CONECT 154 65 CONECT 155 65 CONECT 156 66 CONECT 157 66 CONECT 158 66 CONECT 159 67 CONECT 160 67 CONECT 161 68 CONECT 162 68 MASTER 0 0 0 0 0 0 0 0 162 0 326 0 END SMILES for NP0004349 (Salinixanthin)[H]O[C@@]([H])(C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])\C([H])([H])[H])C(O[C@@]1([H])O[C@@]([H])(C([H])([H])OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H])(C([H])([H])[H])C([H])([H])[H] INCHI for NP0004349 (Salinixanthin)InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54-,56-,57+,58-,59+/m0/s1 3D Structure for NP0004349 (Salinixanthin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C61H92O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 969.3980 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 968.67413 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | [(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}oxan-2-yl]methyl 13-methyltetradecanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | [(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-{[(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-3-hydroxy-2,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaen-2-yl]oxy}oxan-2-yl]methyl 13-methyltetradecanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC(C)(C)[C@@H](O)\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)C(=O)CCC2(C)C)[C@@H](O)[C@H](O)[C@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C61H92O9/c1-44(2)27-20-18-16-14-13-15-17-19-21-36-55(64)68-43-53-56(65)57(66)58(67)59(69-53)70-61(11,12)54(63)40-38-49(7)35-26-33-47(5)32-24-30-45(3)28-22-23-29-46(4)31-25-34-48(6)37-39-51-50(8)52(62)41-42-60(51,9)10/h22-26,28-35,37-40,44,53-54,56-59,63,65-67H,13-21,27,36,41-43H2,1-12H3/b23-22+,30-24+,31-25+,33-26+,39-37+,40-38+,45-28+,46-29+,47-32+,48-34+,49-35+/t53-,54-,56-,57+,58-,59+/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | BUNXUZXQWPTVHM-XGQIOHMRSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA015972 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | C00046366 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78441934 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139587531 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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