Showing NP-Card for Galactomannan (NP0016704)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 01:36:32 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:23:26 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0016704 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Galactomannan | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (2S,3R,4R,5R,6S)-2-{[(2S,3R,5S,6S)-2-{[(1R,2R,3S,4S,6R)-6-{[(2S,3S,5S,6R)-6-{[(2R,3S,5S)-5-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(3S,4R,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol holmium belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. Galactomannan is found in Antrodia. It was first documented in 2017 (PMID: 28608692). Based on a literature review very few articles have been published on (2S,3R,4R,5R,6S)-2-{[(2S,3R,5S,6S)-2-{[(1R,2R,3S,4S,6R)-6-{[(2S,3S,5S,6R)-6-{[(2R,3S,5S)-5-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(3S,4R,5S,6R)-3,4,5-trihydroxy-6-(methoxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}oxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol holmium. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0016704 (Galactomannan)
Mrv1652307042107223D
180186 0 0 0 0 999 V2000
-11.0209 6.7396 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6896 6.9564 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8406 6.1015 -0.2165 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.0640 4.6389 0.0856 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1622 3.9029 -0.6508 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6877 2.7635 0.0399 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1323 1.9566 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8460 0.8000 -1.1181 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.5340 0.8152 -2.5206 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4987 0.8845 -3.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2571 -0.5211 -2.5785 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6063 -0.2452 -2.8091 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1622 -1.2991 -1.3023 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.8571 -2.6285 -1.5220 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8529 -3.2994 -0.2993 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8562 -1.5621 -0.8971 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0310 -0.4424 -1.1262 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0288 -0.4373 -0.2008 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7390 -0.5241 -0.7257 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9269 -1.6537 -0.2433 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3719 -2.9069 -0.6433 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7963 -3.7000 0.3851 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.1744 -5.0766 -0.0785 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6348 -5.8768 0.9674 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9642 -6.2464 0.8282 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2817 -7.0910 1.8896 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3329 -6.5405 2.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2247 -7.0413 -0.4390 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2098 -8.4116 -0.1975 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2794 -6.6407 -1.5522 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9477 -6.7781 -2.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9840 -5.1455 -1.3224 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2320 -4.5485 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -1.5488 -0.4428 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0262 -0.3199 -0.5538 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5999 -0.2448 -0.1044 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3552 -0.6940 1.1655 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.4224 1.5996 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7635 -1.5377 1.6199 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0082 -1.2338 2.1888 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6200 0.0121 1.6285 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8809 -0.1133 0.2824 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2945 1.0525 -0.3191 C 0 0 2 0 0 0 0 0 0 0 0 0
3.4184 1.5413 -1.4102 C 0 0 1 0 0 0 0 0 0 0 0 0
4.0062 1.6633 -2.7665 C 0 0 1 0 0 0 0 0 0 0 0 0
3.2172 2.7415 -3.5306 C 0 0 2 0 0 0 0 0 0 0 0 0
1.8989 2.2966 -3.5812 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4383 2.0384 -2.8571 C 0 0 2 0 0 0 0 0 0 0 0 0
6.2091 1.0327 -3.4946 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0290 2.3627 -1.5140 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4491 3.4902 -1.0187 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7754 1.1344 -0.6250 C 0 0 1 0 0 0 0 0 0 0 0 0
6.5686 1.1502 0.4847 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5979 0.2594 0.5679 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3676 -0.5459 1.7018 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2630 -1.6039 1.7510 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4839 -2.8774 1.5376 C 0 0 2 0 0 0 0 0 0 0 0 0
6.5440 -2.9545 2.5628 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4140 -1.4792 0.7877 C 0 0 2 0 0 0 0 0 0 0 0 0
10.4472 -2.3538 1.2002 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0024 -0.1383 0.6423 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4931 0.0684 -0.6487 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8525 0.3975 -0.6588 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0262 1.6838 -1.1823 O 0 0 0 0 0 0 0 0 0 0 0 0
13.3177 2.1463 -1.1029 C 0 0 1 0 0 0 0 0 0 0 0 0
13.4966 3.0537 0.0882 C 0 0 1 0 0 0 0 0 0 0 0 0
13.2105 2.3273 1.2376 O 0 0 0 0 0 0 0 0 0 0 0 0
14.3113 1.0030 -0.9601 C 0 0 2 0 0 0 0 0 0 0 0 0
15.5463 1.4613 -1.3914 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9125 -0.1278 -1.9000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.9025 -1.1054 -1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5653 -0.6261 -1.4944 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7337 -1.8221 -0.7936 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9313 0.9165 0.8491 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1781 2.0351 0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7405 -1.0913 3.6873 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9283 -1.0225 4.4046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8785 0.1317 3.8899 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3092 0.0824 5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8561 0.3695 2.8421 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3957 0.0919 3.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8137 0.6284 0.3536 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0906 1.8130 0.4225 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 0.8291 -0.4191 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7965 1.5372 -1.5617 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7544 3.2560 1.0801 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7358 3.9947 0.4434 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5431 4.1478 2.0262 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5319 3.6693 3.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9358 4.4266 1.5656 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8643 3.4586 2.0197 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Ho 0 0 0 0 0 15 0 0 0 0 0 0
-11.6290 7.4747 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1630 6.9246 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3883 5.7385 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8914 6.3103 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7980 6.3905 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0977 4.3694 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5782 2.2465 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6184 0.7688 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2129 1.6607 -2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3419 1.7932 -3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8395 -1.1277 -3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9831 0.2579 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7748 -0.8154 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4776 -3.2072 -2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9453 -2.4223 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8952 -2.6353 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5611 -0.6152 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8379 -0.5714 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0443 -1.6592 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1264 -3.7126 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7516 -3.2316 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1748 -5.5612 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6442 -5.3677 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5990 -7.1902 3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2299 -6.3341 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0201 -5.5480 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2659 -6.7668 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3598 -8.7575 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3786 -7.2512 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3117 -6.7580 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3733 -4.7528 -2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8616 -4.9234 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0819 0.0972 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0866 -0.7405 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 0.8453 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3846 0.2161 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6388 -2.1309 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6218 0.0957 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9757 0.8577 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2006 1.8180 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5279 0.8654 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9908 2.5289 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8202 0.7413 -3.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6039 2.7404 -4.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 3.7200 -3.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3779 2.8189 -4.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6059 2.9404 -3.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1240 1.3173 -3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1086 2.4569 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1500 4.1527 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0568 0.2961 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7396 -0.3810 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6869 -1.6398 2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1525 -3.7783 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9575 -2.9102 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1490 -3.8408 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0641 -1.9193 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0887 -1.8593 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8274 -0.0059 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2891 0.4120 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6304 2.7218 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5645 3.3627 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8346 3.9462 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7800 2.5809 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3767 0.6795 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7341 2.3940 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8939 0.2268 -2.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7186 -0.8629 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0005 -0.8580 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0410 -2.5115 -1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9672 1.1766 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6856 2.8132 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 -1.9727 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7862 -0.4192 5.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 1.0033 3.9232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 0.9875 5.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 1.4684 2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 0.5352 2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9438 0.1752 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4786 2.5136 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7344 1.4530 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5041 1.5736 -2.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2999 2.4823 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5999 4.8264 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0074 5.1395 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4408 3.4915 3.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2560 5.3695 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7435 3.8790 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
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9 11 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
13 16 1 0 0 0 0
16 17 1 0 0 0 0
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78 80 1 0 0 0 0
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35 82 1 0 0 0 0
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90 4 1 0 0 0 0
17 8 1 0 0 0 0
84 19 1 0 0 0 0
32 23 1 0 0 0 0
80 38 1 0 0 0 0
52 43 1 0 0 0 0
74 54 1 0 0 0 0
72 63 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
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3 96 1 0 0 0 0
3 97 1 0 0 0 0
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6 99 1 1 0 0 0
8100 1 1 0 0 0
9101 1 1 0 0 0
10102 1 0 0 0 0
11103 1 6 0 0 0
12104 1 0 0 0 0
13105 1 1 0 0 0
14106 1 0 0 0 0
14107 1 0 0 0 0
15108 1 0 0 0 0
17109 1 6 0 0 0
19110 1 6 0 0 0
20111 1 1 0 0 0
22112 1 0 0 0 0
22113 1 0 0 0 0
23114 1 6 0 0 0
25115 1 6 0 0 0
27116 1 0 0 0 0
27117 1 0 0 0 0
27118 1 0 0 0 0
28119 1 6 0 0 0
29120 1 0 0 0 0
30121 1 6 0 0 0
31122 1 0 0 0 0
32123 1 6 0 0 0
33124 1 0 0 0 0
35125 1 6 0 0 0
36126 1 0 0 0 0
36127 1 0 0 0 0
38128 1 6 0 0 0
40129 1 1 0 0 0
41130 1 0 0 0 0
41131 1 0 0 0 0
43132 1 1 0 0 0
44133 1 0 0 0 0
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86175 1 1 0 0 0
87176 1 0 0 0 0
88177 1 1 0 0 0
89178 1 0 0 0 0
90179 1 1 0 0 0
91180 1 0 0 0 0
M END
3D MOL for NP0016704 (Galactomannan)
RDKit 3D
180186 0 0 0 0 0 0 0 0999 V2000
-11.0209 6.7396 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6896 6.9564 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8406 6.1015 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0640 4.6389 0.0856 C 0 0 1 0 0 0 0 0 0 0 0 0
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M END
3D SDF for NP0016704 (Galactomannan)
Mrv1652307042107223D
180186 0 0 0 0 999 V2000
-11.0209 6.7396 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
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15.5463 1.4613 -1.3914 O 0 0 0 0 0 0 0 0 0 0 0 0
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14.9025 -1.1054 -1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5653 -0.6261 -1.4944 C 0 0 1 0 0 0 0 0 0 0 0 0
12.7337 -1.8221 -0.7936 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9313 0.9165 0.8491 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1781 2.0351 0.0719 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7405 -1.0913 3.6873 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9283 -1.0225 4.4046 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8785 0.1317 3.8899 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3092 0.0824 5.1620 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8561 0.3695 2.8421 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3957 0.0919 3.4501 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8137 0.6284 0.3536 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0906 1.8130 0.4225 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1114 0.8291 -0.4191 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7965 1.5372 -1.5617 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.7544 3.2560 1.0801 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7358 3.9947 0.4434 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.5431 4.1478 2.0262 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.5319 3.6693 3.3271 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.9358 4.4266 1.5656 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.8643 3.4586 2.0197 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.0000 0.0000 Ho 0 0 0 0 0 15 0 0 0 0 0 0
-11.6290 7.4747 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.1630 6.9246 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0
-11.3883 5.7385 0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8914 6.3103 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7980 6.3905 0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0977 4.3694 -0.2204 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5782 2.2465 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6184 0.7688 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2129 1.6607 -2.6137 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.3419 1.7932 -3.7839 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.8395 -1.1277 -3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9831 0.2579 -2.0497 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7748 -0.8154 -0.4770 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4776 -3.2072 -2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.9453 -2.4223 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.8952 -2.6353 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5611 -0.6152 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8379 -0.5714 -1.8264 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0443 -1.6592 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1264 -3.7126 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.7516 -3.2316 0.7675 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1748 -5.5612 -0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6442 -5.3677 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5990 -7.1902 3.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2299 -6.3341 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0201 -5.5480 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2659 -6.7668 -0.7652 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3598 -8.7575 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3786 -7.2512 -1.4788 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3117 -6.7580 -3.5298 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3733 -4.7528 -2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8616 -4.9234 -1.9226 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0819 0.0972 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0866 -0.7405 -0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3178 0.8453 -0.1169 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3846 0.2161 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6388 -2.1309 2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6218 0.0957 2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9757 0.8577 1.8352 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2006 1.8180 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5279 0.8654 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9908 2.5289 -1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8202 0.7413 -3.4016 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6039 2.7404 -4.5742 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2755 3.7200 -3.0465 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3779 2.8189 -4.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6059 2.9404 -3.5083 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1240 1.3173 -3.6518 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1086 2.4569 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1500 4.1527 -0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0568 0.2961 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7396 -0.3810 -0.3302 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6869 -1.6398 2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1525 -3.7783 1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9575 -2.9102 0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1490 -3.8408 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0641 -1.9193 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0887 -1.8593 1.8015 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8274 -0.0059 1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0
12.2891 0.4120 0.3395 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6304 2.7218 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5645 3.3627 0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8346 3.9462 0.0385 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7800 2.5809 1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3767 0.6795 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7341 2.3940 -1.1663 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8939 0.2268 -2.9572 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7186 -0.8629 -2.2681 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0005 -0.8580 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0410 -2.5115 -1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9672 1.1766 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6856 2.8132 0.4448 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1617 -1.9727 3.9880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7862 -0.4192 5.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 1.0033 3.9232 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2184 0.9875 5.5497 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7481 1.4684 2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1318 0.5352 2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9438 0.1752 1.3328 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4786 2.5136 -0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7344 1.4530 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5041 1.5736 -2.2414 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2999 2.4823 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.5999 4.8264 0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0074 5.1395 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4408 3.4915 3.6736 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2560 5.3695 2.0704 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7435 3.8790 1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
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50 52 1 0 0 0 0
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56 57 1 0 0 0 0
57 58 1 0 0 0 0
56 59 1 0 0 0 0
59 60 1 0 0 0 0
59 61 1 0 0 0 0
61 62 1 0 0 0 0
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63 64 1 0 0 0 0
64 65 1 0 0 0 0
65 66 1 0 0 0 0
66 67 1 0 0 0 0
65 68 1 0 0 0 0
68 69 1 0 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
70 72 1 0 0 0 0
72 73 1 0 0 0 0
61 74 1 0 0 0 0
74 75 1 0 0 0 0
40 76 1 0 0 0 0
76 77 1 0 0 0 0
76 78 1 0 0 0 0
78 79 1 0 0 0 0
78 80 1 0 0 0 0
80 81 1 0 0 0 0
35 82 1 0 0 0 0
82 83 1 0 0 0 0
82 84 1 0 0 0 0
84 85 1 0 0 0 0
6 86 1 0 0 0 0
86 87 1 0 0 0 0
86 88 1 0 0 0 0
88 89 1 0 0 0 0
88 90 1 0 0 0 0
90 91 1 0 0 0 0
90 4 1 0 0 0 0
17 8 1 0 0 0 0
84 19 1 0 0 0 0
32 23 1 0 0 0 0
80 38 1 0 0 0 0
52 43 1 0 0 0 0
74 54 1 0 0 0 0
72 63 1 0 0 0 0
1 93 1 0 0 0 0
1 94 1 0 0 0 0
1 95 1 0 0 0 0
3 96 1 0 0 0 0
3 97 1 0 0 0 0
4 98 1 6 0 0 0
6 99 1 1 0 0 0
8100 1 1 0 0 0
9101 1 1 0 0 0
10102 1 0 0 0 0
11103 1 6 0 0 0
12104 1 0 0 0 0
13105 1 1 0 0 0
14106 1 0 0 0 0
14107 1 0 0 0 0
15108 1 0 0 0 0
17109 1 6 0 0 0
19110 1 6 0 0 0
20111 1 1 0 0 0
22112 1 0 0 0 0
22113 1 0 0 0 0
23114 1 6 0 0 0
25115 1 6 0 0 0
27116 1 0 0 0 0
27117 1 0 0 0 0
27118 1 0 0 0 0
28119 1 6 0 0 0
29120 1 0 0 0 0
30121 1 6 0 0 0
31122 1 0 0 0 0
32123 1 6 0 0 0
33124 1 0 0 0 0
35125 1 6 0 0 0
36126 1 0 0 0 0
36127 1 0 0 0 0
38128 1 6 0 0 0
40129 1 1 0 0 0
41130 1 0 0 0 0
41131 1 0 0 0 0
43132 1 1 0 0 0
44133 1 0 0 0 0
44134 1 0 0 0 0
45135 1 6 0 0 0
46136 1 0 0 0 0
46137 1 0 0 0 0
47138 1 0 0 0 0
48139 1 6 0 0 0
49140 1 0 0 0 0
50141 1 6 0 0 0
51142 1 0 0 0 0
52143 1 6 0 0 0
54144 1 6 0 0 0
56145 1 1 0 0 0
57146 1 0 0 0 0
57147 1 0 0 0 0
58148 1 0 0 0 0
59149 1 6 0 0 0
60150 1 0 0 0 0
61151 1 1 0 0 0
63152 1 1 0 0 0
65153 1 6 0 0 0
66154 1 0 0 0 0
66155 1 0 0 0 0
67156 1 0 0 0 0
68157 1 1 0 0 0
69158 1 0 0 0 0
70159 1 6 0 0 0
71160 1 0 0 0 0
72161 1 6 0 0 0
73162 1 0 0 0 0
74163 1 1 0 0 0
75164 1 0 0 0 0
76165 1 1 0 0 0
77166 1 0 0 0 0
78167 1 1 0 0 0
79168 1 0 0 0 0
80169 1 6 0 0 0
81170 1 0 0 0 0
82171 1 1 0 0 0
83172 1 0 0 0 0
84173 1 1 0 0 0
85174 1 0 0 0 0
86175 1 1 0 0 0
87176 1 0 0 0 0
88177 1 1 0 0 0
89178 1 0 0 0 0
90179 1 1 0 0 0
91180 1 0 0 0 0
M END
> <DATABASE_ID>
NP0016704
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[Ho].[H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(OC([H])([H])[C@]4([H])O[C@@]([H])(OC([H])([H])[C@@]5([H])O[C@]([H])(OC([H])([H])[C@@]6([H])O[C@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])[C@@]([H])(O[C@@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]6([H])O[C@]6([H])O[C@]([H])(C([H])([H])OC([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])C([H])([H])[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])O[C@@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H]
> <INCHI_IDENTIFIER>
InChI=1S/C51H88O40.Ho/c1-76-8-17-24(59)32(67)39(74)48(86-17)90-44-34(69)23(58)15(6-54)83-51(44)91-43-35(70)27(62)20(87-50(43)80-11-19-26(61)30(65)36(71)45(77-2)84-19)10-79-46-37(72)31(66)25(60)18(85-46)9-78-13-3-12(4-52)21(56)33(68)41(13)88-49-40(75)42(28(63)16(7-55)82-49)89-47-38(73)29(64)22(57)14(5-53)81-47;/h12-75H,3-11H2,1-2H3;/t12-,13+,14-,15+,16-,17+,18-,19+,20+,21-,22-,23+,24+,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46+,47-,48-,49-,50-,51+;/m0./s1
> <INCHI_KEY>
DWGTXNKGUCQMQB-HPVHBJNCSA-N
> <FORMULA>
C51H88HoO40
> <MOLECULAR_WEIGHT>
1506.155
> <EXACT_MASS>
1505.41552
> <JCHEM_ACCEPTOR_COUNT>
40
> <JCHEM_ATOM_COUNT>
180
> <JCHEM_AVERAGE_POLARIZABILITY>
129.2151542139594
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
24
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3S,4R,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5S,6R)-6-({[(2R,3S,4S,5S,6S)-6-({[(1R,2R,3R,4S,5S)-2-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-4,5-dihydroxy-2-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol holmium
> <ALOGPS_LOGP>
-2.36
> <JCHEM_LOGP>
-14.083762933666664
> <ALOGPS_LOGS>
-0.67
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
8
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
11.993416189043511
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.61162063174109
> <JCHEM_PKA_STRONGEST_BASIC>
-3.678628712094101
> <JCHEM_POLAR_SURFACE_AREA>
633.2000000000003
> <JCHEM_REFRACTIVITY>
276.057
> <JCHEM_ROTATABLE_BOND_COUNT>
24
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.87e+02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4R,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5S,6R)-6-({[(2R,3S,4S,5S,6S)-6-({[(1R,2R,3R,4S,5S)-2-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-4,5-dihydroxy-2-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol holmium
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0016704 (Galactomannan)
RDKit 3D
180186 0 0 0 0 0 0 0 0999 V2000
-11.0209 6.7396 0.1715 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6896 6.9564 0.4549 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.8406 6.1015 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.0640 4.6389 0.0856 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.1622 3.9029 -0.6508 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.6877 2.7635 0.0399 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.1323 1.9566 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8460 0.8000 -1.1181 C 0 0 1 0 0 0 0 0 0 0 0 0
-8.5340 0.8152 -2.5206 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.4987 0.8845 -3.4509 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.2571 -0.5211 -2.5785 C 0 0 2 0 0 0 0 0 0 0 0 0
-10.6063 -0.2452 -2.8091 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.1622 -1.2991 -1.3023 C 0 0 1 0 0 0 0 0 0 0 0 0
-9.8571 -2.6285 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.8529 -3.2994 -0.2993 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.8562 -1.5621 -0.8971 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.0310 -0.4424 -1.1262 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.0288 -0.4373 -0.2008 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7390 -0.5241 -0.7257 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.9269 -1.6537 -0.2433 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.3719 -2.9069 -0.6433 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7963 -3.7000 0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1744 -5.0766 -0.0785 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6348 -5.8768 0.9674 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9642 -6.2464 0.8282 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2817 -7.0910 1.8896 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.3329 -6.5405 2.6612 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2247 -7.0413 -0.4390 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.2098 -8.4116 -0.1975 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2794 -6.6407 -1.5522 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9477 -6.7781 -2.7838 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9840 -5.1455 -1.3224 C 0 0 1 0 0 0 0 0 0 0 0 0
-7.2320 -4.5485 -1.2438 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5569 -1.5488 -0.4428 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0262 -0.3199 -0.5538 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.5999 -0.2448 -0.1044 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3552 -0.6940 1.1655 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9385 -0.4224 1.5996 C 0 0 2 0 0 0 0 0 0 0 0 0
1.7635 -1.5377 1.6199 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0082 -1.2338 2.1888 C 0 0 1 0 0 0 0 0 0 0 0 0
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M END
PDB for NP0016704 (Galactomannan)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -11.021 6.740 0.172 0.00 0.00 C+0 HETATM 2 O UNK 0 -9.690 6.956 0.455 0.00 0.00 O+0 HETATM 3 C UNK 0 -8.841 6.101 -0.217 0.00 0.00 C+0 HETATM 4 C UNK 0 -9.064 4.639 0.086 0.00 0.00 C+0 HETATM 5 O UNK 0 -8.162 3.903 -0.651 0.00 0.00 O+0 HETATM 6 C UNK 0 -7.688 2.764 0.040 0.00 0.00 C+0 HETATM 7 O UNK 0 -7.132 1.957 -0.950 0.00 0.00 O+0 HETATM 8 C UNK 0 -7.846 0.800 -1.118 0.00 0.00 C+0 HETATM 9 C UNK 0 -8.534 0.815 -2.521 0.00 0.00 C+0 HETATM 10 O UNK 0 -7.499 0.885 -3.451 0.00 0.00 O+0 HETATM 11 C UNK 0 -9.257 -0.521 -2.579 0.00 0.00 C+0 HETATM 12 O UNK 0 -10.606 -0.245 -2.809 0.00 0.00 O+0 HETATM 13 C UNK 0 -9.162 -1.299 -1.302 0.00 0.00 C+0 HETATM 14 C UNK 0 -9.857 -2.628 -1.522 0.00 0.00 C+0 HETATM 15 O UNK 0 -9.853 -3.299 -0.299 0.00 0.00 O+0 HETATM 16 O UNK 0 -7.856 -1.562 -0.897 0.00 0.00 O+0 HETATM 17 C UNK 0 -7.031 -0.442 -1.126 0.00 0.00 C+0 HETATM 18 O UNK 0 -6.029 -0.437 -0.201 0.00 0.00 O+0 HETATM 19 C UNK 0 -4.739 -0.524 -0.726 0.00 0.00 C+0 HETATM 20 C UNK 0 -3.927 -1.654 -0.243 0.00 0.00 C+0 HETATM 21 O UNK 0 -4.372 -2.907 -0.643 0.00 0.00 O+0 HETATM 22 C UNK 0 -4.796 -3.700 0.385 0.00 0.00 C+0 HETATM 23 C UNK 0 -5.174 -5.077 -0.079 0.00 0.00 C+0 HETATM 24 O UNK 0 -5.635 -5.877 0.967 0.00 0.00 O+0 HETATM 25 C UNK 0 -6.964 -6.246 0.828 0.00 0.00 C+0 HETATM 26 O UNK 0 -7.282 -7.091 1.890 0.00 0.00 O+0 HETATM 27 C UNK 0 -8.333 -6.540 2.661 0.00 0.00 C+0 HETATM 28 C UNK 0 -7.225 -7.041 -0.439 0.00 0.00 C+0 HETATM 29 O UNK 0 -7.210 -8.412 -0.198 0.00 0.00 O+0 HETATM 30 C UNK 0 -6.279 -6.641 -1.552 0.00 0.00 C+0 HETATM 31 O UNK 0 -6.948 -6.778 -2.784 0.00 0.00 O+0 HETATM 32 C UNK 0 -5.984 -5.146 -1.322 0.00 0.00 C+0 HETATM 33 O UNK 0 -7.232 -4.548 -1.244 0.00 0.00 O+0 HETATM 34 O UNK 0 -2.557 -1.549 -0.443 0.00 0.00 O+0 HETATM 35 C UNK 0 -2.026 -0.320 -0.554 0.00 0.00 C+0 HETATM 36 C UNK 0 -0.600 -0.245 -0.104 0.00 0.00 C+0 HETATM 37 O UNK 0 -0.355 -0.694 1.165 0.00 0.00 O+0 HETATM 38 C UNK 0 0.939 -0.422 1.600 0.00 0.00 C+0 HETATM 39 O UNK 0 1.764 -1.538 1.620 0.00 0.00 O+0 HETATM 40 C UNK 0 3.008 -1.234 2.189 0.00 0.00 C+0 HETATM 41 C UNK 0 3.620 0.012 1.629 0.00 0.00 C+0 HETATM 42 O UNK 0 3.881 -0.113 0.282 0.00 0.00 O+0 HETATM 43 C UNK 0 4.295 1.052 -0.319 0.00 0.00 C+0 HETATM 44 C UNK 0 3.418 1.541 -1.410 0.00 0.00 C+0 HETATM 45 C UNK 0 4.006 1.663 -2.767 0.00 0.00 C+0 HETATM 46 C UNK 0 3.217 2.741 -3.531 0.00 0.00 C+0 HETATM 47 O UNK 0 1.899 2.297 -3.581 0.00 0.00 O+0 HETATM 48 C UNK 0 5.438 2.038 -2.857 0.00 0.00 C+0 HETATM 49 O UNK 0 6.209 1.033 -3.495 0.00 0.00 O+0 HETATM 50 C UNK 0 6.029 2.363 -1.514 0.00 0.00 C+0 HETATM 51 O UNK 0 5.449 3.490 -1.019 0.00 0.00 O+0 HETATM 52 C UNK 0 5.775 1.134 -0.625 0.00 0.00 C+0 HETATM 53 O UNK 0 6.569 1.150 0.485 0.00 0.00 O+0 HETATM 54 C UNK 0 7.598 0.259 0.568 0.00 0.00 C+0 HETATM 55 O UNK 0 7.368 -0.546 1.702 0.00 0.00 O+0 HETATM 56 C UNK 0 8.263 -1.604 1.751 0.00 0.00 C+0 HETATM 57 C UNK 0 7.484 -2.877 1.538 0.00 0.00 C+0 HETATM 58 O UNK 0 6.544 -2.954 2.563 0.00 0.00 O+0 HETATM 59 C UNK 0 9.414 -1.479 0.788 0.00 0.00 C+0 HETATM 60 O UNK 0 10.447 -2.354 1.200 0.00 0.00 O+0 HETATM 61 C UNK 0 10.002 -0.138 0.642 0.00 0.00 C+0 HETATM 62 O UNK 0 10.493 0.068 -0.649 0.00 0.00 O+0 HETATM 63 C UNK 0 11.852 0.398 -0.659 0.00 0.00 C+0 HETATM 64 O UNK 0 12.026 1.684 -1.182 0.00 0.00 O+0 HETATM 65 C UNK 0 13.318 2.146 -1.103 0.00 0.00 C+0 HETATM 66 C UNK 0 13.497 3.054 0.088 0.00 0.00 C+0 HETATM 67 O UNK 0 13.210 2.327 1.238 0.00 0.00 O+0 HETATM 68 C UNK 0 14.311 1.003 -0.960 0.00 0.00 C+0 HETATM 69 O UNK 0 15.546 1.461 -1.391 0.00 0.00 O+0 HETATM 70 C UNK 0 13.912 -0.128 -1.900 0.00 0.00 C+0 HETATM 71 O UNK 0 14.902 -1.105 -1.786 0.00 0.00 O+0 HETATM 72 C UNK 0 12.565 -0.626 -1.494 0.00 0.00 C+0 HETATM 73 O UNK 0 12.734 -1.822 -0.794 0.00 0.00 O+0 HETATM 74 C UNK 0 8.931 0.917 0.849 0.00 0.00 C+0 HETATM 75 O UNK 0 9.178 2.035 0.072 0.00 0.00 O+0 HETATM 76 C UNK 0 2.740 -1.091 3.687 0.00 0.00 C+0 HETATM 77 O UNK 0 3.928 -1.022 4.405 0.00 0.00 O+0 HETATM 78 C UNK 0 1.879 0.132 3.890 0.00 0.00 C+0 HETATM 79 O UNK 0 1.309 0.082 5.162 0.00 0.00 O+0 HETATM 80 C UNK 0 0.856 0.370 2.842 0.00 0.00 C+0 HETATM 81 O UNK 0 -0.396 0.092 3.450 0.00 0.00 O+0 HETATM 82 C UNK 0 -2.814 0.628 0.354 0.00 0.00 C+0 HETATM 83 O UNK 0 -2.091 1.813 0.423 0.00 0.00 O+0 HETATM 84 C UNK 0 -4.111 0.829 -0.419 0.00 0.00 C+0 HETATM 85 O UNK 0 -3.797 1.537 -1.562 0.00 0.00 O+0 HETATM 86 C UNK 0 -6.754 3.256 1.080 0.00 0.00 C+0 HETATM 87 O UNK 0 -5.736 3.995 0.443 0.00 0.00 O+0 HETATM 88 C UNK 0 -7.543 4.148 2.026 0.00 0.00 C+0 HETATM 89 O UNK 0 -7.532 3.669 3.327 0.00 0.00 O+0 HETATM 90 C UNK 0 -8.936 4.427 1.566 0.00 0.00 C+0 HETATM 91 O UNK 0 -9.864 3.459 2.020 0.00 0.00 O+0 HETATM 92 Ho UNK 0 0.000 0.000 0.000 0.00 0.00 Ho+0 HETATM 93 H UNK 0 -11.629 7.475 0.749 0.00 0.00 H+0 HETATM 94 H UNK 0 -11.163 6.925 -0.907 0.00 0.00 H+0 HETATM 95 H UNK 0 -11.388 5.739 0.503 0.00 0.00 H+0 HETATM 96 H UNK 0 -8.891 6.310 -1.312 0.00 0.00 H+0 HETATM 97 H UNK 0 -7.798 6.391 0.106 0.00 0.00 H+0 HETATM 98 H UNK 0 -10.098 4.369 -0.220 0.00 0.00 H+0 HETATM 99 H UNK 0 -8.578 2.247 0.427 0.00 0.00 H+0 HETATM 100 H UNK 0 -8.618 0.769 -0.352 0.00 0.00 H+0 HETATM 101 H UNK 0 -9.213 1.661 -2.614 0.00 0.00 H+0 HETATM 102 H UNK 0 -7.342 1.793 -3.784 0.00 0.00 H+0 HETATM 103 H UNK 0 -8.839 -1.128 -3.392 0.00 0.00 H+0 HETATM 104 H UNK 0 -10.983 0.258 -2.050 0.00 0.00 H+0 HETATM 105 H UNK 0 -9.775 -0.815 -0.477 0.00 0.00 H+0 HETATM 106 H UNK 0 -9.478 -3.207 -2.358 0.00 0.00 H+0 HETATM 107 H UNK 0 -10.945 -2.422 -1.741 0.00 0.00 H+0 HETATM 108 H UNK 0 -9.895 -2.635 0.446 0.00 0.00 H+0 HETATM 109 H UNK 0 -6.561 -0.615 -2.137 0.00 0.00 H+0 HETATM 110 H UNK 0 -4.838 -0.571 -1.826 0.00 0.00 H+0 HETATM 111 H UNK 0 -4.044 -1.659 0.885 0.00 0.00 H+0 HETATM 112 H UNK 0 -4.126 -3.713 1.260 0.00 0.00 H+0 HETATM 113 H UNK 0 -5.752 -3.232 0.768 0.00 0.00 H+0 HETATM 114 H UNK 0 -4.175 -5.561 -0.353 0.00 0.00 H+0 HETATM 115 H UNK 0 -7.644 -5.368 0.900 0.00 0.00 H+0 HETATM 116 H UNK 0 -8.599 -7.190 3.495 0.00 0.00 H+0 HETATM 117 H UNK 0 -9.230 -6.334 2.061 0.00 0.00 H+0 HETATM 118 H UNK 0 -8.020 -5.548 3.081 0.00 0.00 H+0 HETATM 119 H UNK 0 -8.266 -6.767 -0.765 0.00 0.00 H+0 HETATM 120 H UNK 0 -6.360 -8.758 -0.608 0.00 0.00 H+0 HETATM 121 H UNK 0 -5.379 -7.251 -1.479 0.00 0.00 H+0 HETATM 122 H UNK 0 -6.312 -6.758 -3.530 0.00 0.00 H+0 HETATM 123 H UNK 0 -5.373 -4.753 -2.165 0.00 0.00 H+0 HETATM 124 H UNK 0 -7.862 -4.923 -1.923 0.00 0.00 H+0 HETATM 125 H UNK 0 -2.082 0.097 -1.604 0.00 0.00 H+0 HETATM 126 H UNK 0 0.087 -0.741 -0.854 0.00 0.00 H+0 HETATM 127 H UNK 0 -0.318 0.845 -0.117 0.00 0.00 H+0 HETATM 128 H UNK 0 1.385 0.216 0.776 0.00 0.00 H+0 HETATM 129 H UNK 0 3.639 -2.131 2.070 0.00 0.00 H+0 HETATM 130 H UNK 0 4.622 0.096 2.124 0.00 0.00 H+0 HETATM 131 H UNK 0 2.976 0.858 1.835 0.00 0.00 H+0 HETATM 132 H UNK 0 4.201 1.818 0.532 0.00 0.00 H+0 HETATM 133 H UNK 0 2.528 0.865 -1.431 0.00 0.00 H+0 HETATM 134 H UNK 0 2.991 2.529 -1.132 0.00 0.00 H+0 HETATM 135 H UNK 0 3.820 0.741 -3.402 0.00 0.00 H+0 HETATM 136 H UNK 0 3.604 2.740 -4.574 0.00 0.00 H+0 HETATM 137 H UNK 0 3.276 3.720 -3.046 0.00 0.00 H+0 HETATM 138 H UNK 0 1.378 2.819 -4.252 0.00 0.00 H+0 HETATM 139 H UNK 0 5.606 2.940 -3.508 0.00 0.00 H+0 HETATM 140 H UNK 0 7.124 1.317 -3.652 0.00 0.00 H+0 HETATM 141 H UNK 0 7.109 2.457 -1.627 0.00 0.00 H+0 HETATM 142 H UNK 0 6.150 4.153 -0.725 0.00 0.00 H+0 HETATM 143 H UNK 0 6.057 0.296 -1.267 0.00 0.00 H+0 HETATM 144 H UNK 0 7.740 -0.381 -0.330 0.00 0.00 H+0 HETATM 145 H UNK 0 8.687 -1.640 2.771 0.00 0.00 H+0 HETATM 146 H UNK 0 8.152 -3.778 1.677 0.00 0.00 H+0 HETATM 147 H UNK 0 6.957 -2.910 0.579 0.00 0.00 H+0 HETATM 148 H UNK 0 6.149 -3.841 2.650 0.00 0.00 H+0 HETATM 149 H UNK 0 9.064 -1.919 -0.191 0.00 0.00 H+0 HETATM 150 H UNK 0 11.089 -1.859 1.802 0.00 0.00 H+0 HETATM 151 H UNK 0 10.827 -0.006 1.396 0.00 0.00 H+0 HETATM 152 H UNK 0 12.289 0.412 0.340 0.00 0.00 H+0 HETATM 153 H UNK 0 13.630 2.722 -2.005 0.00 0.00 H+0 HETATM 154 H UNK 0 14.565 3.363 0.181 0.00 0.00 H+0 HETATM 155 H UNK 0 12.835 3.946 0.039 0.00 0.00 H+0 HETATM 156 H UNK 0 13.780 2.581 1.999 0.00 0.00 H+0 HETATM 157 H UNK 0 14.377 0.680 0.073 0.00 0.00 H+0 HETATM 158 H UNK 0 15.734 2.394 -1.166 0.00 0.00 H+0 HETATM 159 H UNK 0 13.894 0.227 -2.957 0.00 0.00 H+0 HETATM 160 H UNK 0 15.719 -0.863 -2.268 0.00 0.00 H+0 HETATM 161 H UNK 0 12.001 -0.858 -2.435 0.00 0.00 H+0 HETATM 162 H UNK 0 13.041 -2.511 -1.455 0.00 0.00 H+0 HETATM 163 H UNK 0 8.967 1.177 1.933 0.00 0.00 H+0 HETATM 164 H UNK 0 8.686 2.813 0.445 0.00 0.00 H+0 HETATM 165 H UNK 0 2.162 -1.973 3.988 0.00 0.00 H+0 HETATM 166 H UNK 0 3.786 -0.419 5.169 0.00 0.00 H+0 HETATM 167 H UNK 0 2.581 1.003 3.923 0.00 0.00 H+0 HETATM 168 H UNK 0 1.218 0.988 5.550 0.00 0.00 H+0 HETATM 169 H UNK 0 0.748 1.468 2.584 0.00 0.00 H+0 HETATM 170 H UNK 0 -1.132 0.535 2.917 0.00 0.00 H+0 HETATM 171 H UNK 0 -2.944 0.175 1.333 0.00 0.00 H+0 HETATM 172 H UNK 0 -2.479 2.514 -0.148 0.00 0.00 H+0 HETATM 173 H UNK 0 -4.734 1.453 0.225 0.00 0.00 H+0 HETATM 174 H UNK 0 -4.504 1.574 -2.241 0.00 0.00 H+0 HETATM 175 H UNK 0 -6.300 2.482 1.703 0.00 0.00 H+0 HETATM 176 H UNK 0 -5.600 4.826 0.948 0.00 0.00 H+0 HETATM 177 H UNK 0 -7.007 5.139 2.051 0.00 0.00 H+0 HETATM 178 H UNK 0 -8.441 3.491 3.674 0.00 0.00 H+0 HETATM 179 H UNK 0 -9.256 5.370 2.070 0.00 0.00 H+0 HETATM 180 H UNK 0 -10.743 3.879 1.968 0.00 0.00 H+0 CONECT 1 2 93 94 95 CONECT 2 1 3 CONECT 3 2 4 96 97 CONECT 4 3 5 90 98 CONECT 5 4 6 CONECT 6 5 7 86 99 CONECT 7 6 8 CONECT 8 7 9 17 100 CONECT 9 8 10 11 101 CONECT 10 9 102 CONECT 11 9 12 13 103 CONECT 12 11 104 CONECT 13 11 14 16 105 CONECT 14 13 15 106 107 CONECT 15 14 108 CONECT 16 13 17 CONECT 17 16 18 8 109 CONECT 18 17 19 CONECT 19 18 20 84 110 CONECT 20 19 21 34 111 CONECT 21 20 22 CONECT 22 21 23 112 113 CONECT 23 22 24 32 114 CONECT 24 23 25 CONECT 25 24 26 28 115 CONECT 26 25 27 CONECT 27 26 116 117 118 CONECT 28 25 29 30 119 CONECT 29 28 120 CONECT 30 28 31 32 121 CONECT 31 30 122 CONECT 32 30 33 23 123 CONECT 33 32 124 CONECT 34 20 35 CONECT 35 34 36 82 125 CONECT 36 35 37 126 127 CONECT 37 36 38 CONECT 38 37 39 80 128 CONECT 39 38 40 CONECT 40 39 41 76 129 CONECT 41 40 42 130 131 CONECT 42 41 43 CONECT 43 42 44 52 132 CONECT 44 43 45 133 134 CONECT 45 44 46 48 135 CONECT 46 45 47 136 137 CONECT 47 46 138 CONECT 48 45 49 50 139 CONECT 49 48 140 CONECT 50 48 51 52 141 CONECT 51 50 142 CONECT 52 50 53 43 143 CONECT 53 52 54 CONECT 54 53 55 74 144 CONECT 55 54 56 CONECT 56 55 57 59 145 CONECT 57 56 58 146 147 CONECT 58 57 148 CONECT 59 56 60 61 149 CONECT 60 59 150 CONECT 61 59 62 74 151 CONECT 62 61 63 CONECT 63 62 64 72 152 CONECT 64 63 65 CONECT 65 64 66 68 153 CONECT 66 65 67 154 155 CONECT 67 66 156 CONECT 68 65 69 70 157 CONECT 69 68 158 CONECT 70 68 71 72 159 CONECT 71 70 160 CONECT 72 70 73 63 161 CONECT 73 72 162 CONECT 74 61 75 54 163 CONECT 75 74 164 CONECT 76 40 77 78 165 CONECT 77 76 166 CONECT 78 76 79 80 167 CONECT 79 78 168 CONECT 80 78 81 38 169 CONECT 81 80 170 CONECT 82 35 83 84 171 CONECT 83 82 172 CONECT 84 82 85 19 173 CONECT 85 84 174 CONECT 86 6 87 88 175 CONECT 87 86 176 CONECT 88 86 89 90 177 CONECT 89 88 178 CONECT 90 88 91 4 179 CONECT 91 90 180 CONECT 93 1 CONECT 94 1 CONECT 95 1 CONECT 96 3 CONECT 97 3 CONECT 98 4 CONECT 99 6 CONECT 100 8 CONECT 101 9 CONECT 102 10 CONECT 103 11 CONECT 104 12 CONECT 105 13 CONECT 106 14 CONECT 107 14 CONECT 108 15 CONECT 109 17 CONECT 110 19 CONECT 111 20 CONECT 112 22 CONECT 113 22 CONECT 114 23 CONECT 115 25 CONECT 116 27 CONECT 117 27 CONECT 118 27 CONECT 119 28 CONECT 120 29 CONECT 121 30 CONECT 122 31 CONECT 123 32 CONECT 124 33 CONECT 125 35 CONECT 126 36 CONECT 127 36 CONECT 128 38 CONECT 129 40 CONECT 130 41 CONECT 131 41 CONECT 132 43 CONECT 133 44 CONECT 134 44 CONECT 135 45 CONECT 136 46 CONECT 137 46 CONECT 138 47 CONECT 139 48 CONECT 140 49 CONECT 141 50 CONECT 142 51 CONECT 143 52 CONECT 144 54 CONECT 145 56 CONECT 146 57 CONECT 147 57 CONECT 148 58 CONECT 149 59 CONECT 150 60 CONECT 151 61 CONECT 152 63 CONECT 153 65 CONECT 154 66 CONECT 155 66 CONECT 156 67 CONECT 157 68 CONECT 158 69 CONECT 159 70 CONECT 160 71 CONECT 161 72 CONECT 162 73 CONECT 163 74 CONECT 164 75 CONECT 165 76 CONECT 166 77 CONECT 167 78 CONECT 168 79 CONECT 169 80 CONECT 170 81 CONECT 171 82 CONECT 172 83 CONECT 173 84 CONECT 174 85 CONECT 175 86 CONECT 176 87 CONECT 177 88 CONECT 178 89 CONECT 179 90 CONECT 180 91 MASTER 0 0 0 0 0 0 0 0 180 0 372 0 END SMILES for NP0016704 (Galactomannan)[Ho].[H]OC([H])([H])[C@]1([H])O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O[H])[C@]([H])(O[C@@]3([H])[C@]([H])(OC([H])([H])[C@]4([H])O[C@@]([H])(OC([H])([H])[C@@]5([H])O[C@]([H])(OC([H])([H])[C@@]6([H])O[C@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]6([H])O[H])[C@@]([H])(O[C@@]6([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]6([H])O[C@]6([H])O[C@]([H])(C([H])([H])OC([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]6([H])O[H])[C@]([H])(O[H])[C@]5([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@]4([H])O[H])C([H])([H])[C@@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@@]3([H])O[H])O[C@@]([H])(C([H])([H])O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] INCHI for NP0016704 (Galactomannan)InChI=1S/C51H88O40.Ho/c1-76-8-17-24(59)32(67)39(74)48(86-17)90-44-34(69)23(58)15(6-54)83-51(44)91-43-35(70)27(62)20(87-50(43)80-11-19-26(61)30(65)36(71)45(77-2)84-19)10-79-46-37(72)31(66)25(60)18(85-46)9-78-13-3-12(4-52)21(56)33(68)41(13)88-49-40(75)42(28(63)16(7-55)82-49)89-47-38(73)29(64)22(57)14(5-53)81-47;/h12-75H,3-11H2,1-2H3;/t12-,13+,14-,15+,16-,17+,18-,19+,20+,21-,22-,23+,24+,25+,26-,27+,28-,29+,30-,31-,32+,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+,43-,44-,45-,46+,47-,48-,49-,50-,51+;/m0./s1 3D Structure for NP0016704 (Galactomannan) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemical Formula | C51H88HoO40 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1506.1550 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1505.41552 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2S,3S,4R,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5S,6R)-6-({[(2R,3S,4S,5S,6S)-6-({[(1R,2R,3R,4S,5S)-2-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-4,5-dihydroxy-2-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol holmium | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2S,3S,4R,5S,6R)-2-{[(2R,3S,4S,5S,6R)-2-{[(2S,3S,4R,5S,6R)-6-({[(2R,3S,4S,5S,6S)-6-({[(1R,2R,3R,4S,5S)-2-{[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)-4,5-dihydroxy-2-{[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(methoxymethyl)oxane-3,4,5-triol holmium | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | [Ho].COC[C@H]1OC(O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O[C@H]2C(O)[C@H](O)[C@@H](CO[C@@H]3O[C@@H](CO[C@@H]4C[C@@H](CO)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@@H](CO)[C@H](O)C(O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]5O)[C@H]4O)[C@@H](O)C(O)[C@@H]3O)OC2OC[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C51H88O40.Ho/c1-76-8-17-24(59)32(67)39(74)48(86-17)90-44-34(69)23(58)15(6-54)83-51(44)91-43-35(70)27(62)20(87-50(43)80-11-19-26(61)30(65)36(71)45(77-2)84-19)10-79-46-37(72)31(66)25(60)18(85-46)9-78-13-3-12(4-52)21(56)33(68)41(13)88-49-40(75)42(28(63)16(7-55)82-49)89-47-38(73)29(64)22(57)14(5-53)81-47;/h12-75H,3-11H2,1-2H3;/t12-,13+,14-,15+,16-,17+,18-,19+,20+,21-,22-,23+,24+,25+,26-,27+,28-,29+,30-,31?,32+,33+,34-,35?,36+,37-,38+,39-,40+,41-,42?,43-,44-,45-,46+,47-,48?,49-,50?,51+;/m0./s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | DWGTXNKGUCQMQB-HPVHBJNCSA-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 oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic oxygen compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Organooxygen compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Carbohydrates and carbohydrate conjugates | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Oligosaccharides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Substituents |
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| Molecular Framework | Aliphatic heteromonocyclic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| External Descriptors | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Properties |
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| Predicted Properties |
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| External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NPAtlas ID | NPA023835 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78445630 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139591059 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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