Showing NP-Card for GGL.2 (NP0003306)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 00:32:56 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:46:04 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0003306 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | GGL.2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | GGL.2 is found in Microbacterium sp. It was first documented in 2000 (PMID: 10843572). Based on a literature review very few articles have been published on 3-[(3,5-dihydroxy-6-{[(13-methyltetradecanoyl)oxy]methyl}-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-2-hydroxypropyl 13-methyltetradecanoate. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0003306 (GGL.2)Mrv1652307012117083D 144145 0 0 0 0 999 V2000 1.5735 -7.2377 -3.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -6.3466 -3.9876 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2555 -7.0485 -4.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 -5.4734 -3.0112 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9158 -6.3172 -2.0401 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6818 -5.4872 -1.0740 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7123 -4.5623 -1.7346 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6999 -5.3377 -2.5157 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7835 -4.5775 -3.1124 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6656 -3.5274 -4.0982 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9451 -2.2403 -3.7910 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0931 -1.3223 -5.0354 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4467 -0.0175 -4.7859 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9862 0.7453 -3.5947 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3928 2.0730 -3.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0014 3.0101 -4.1051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 2.4374 -2.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 3.7842 -2.8024 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6651 4.2153 -2.0772 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5975 5.6344 -2.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 3.6360 -2.6843 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7699 2.3323 -2.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 2.1925 -0.9643 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4755 1.9904 -1.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 0.7547 -0.4554 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1747 0.2971 -0.8240 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2703 1.0418 -0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 1.2962 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 0.7726 1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0509 2.1748 0.9182 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3697 2.3089 2.3943 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2932 2.9533 3.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9851 4.3792 2.7961 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8271 4.8065 3.7162 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4327 6.2433 3.4676 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2861 6.6045 4.3563 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0433 5.7820 4.0886 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9449 6.1953 5.0212 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3425 5.4295 4.8060 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8944 5.6456 3.4225 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1761 4.9217 3.1469 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2859 5.3549 4.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 3.4332 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 0.6739 0.9428 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5869 1.8076 1.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.5277 0.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4475 -0.7879 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -1.0814 2.0891 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5434 -1.8069 2.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.7539 4.2573 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9409 -2.3759 5.2237 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2003 -3.6871 4.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 -2.4553 4.3270 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2068 -3.8197 4.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -1.9511 3.2478 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5908 -0.6336 3.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -1.9490 1.9444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1288 -3.3039 1.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 1.1018 -0.3677 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9964 1.6059 -0.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -6.7465 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -7.3233 -3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -8.2425 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 -5.6288 -4.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -8.1260 -4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 -6.9830 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 -6.5663 -4.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -4.7908 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -4.8613 -3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 -7.0267 -2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -6.8651 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -4.8240 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -6.0787 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -3.8528 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -4.0113 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2032 -6.0599 -3.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 -6.0757 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 -5.3622 -3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -4.1574 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3457 -3.9006 -5.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7376 -3.1793 -4.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 -2.3178 -3.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -1.7143 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4756 -1.8556 -5.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1287 -1.2879 -5.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 0.6589 -5.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -0.2200 -4.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 0.8164 -3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 0.1738 -2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 4.1273 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 4.3516 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 4.1186 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 6.0747 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 4.2779 -2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 3.6394 -3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 3.1973 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 0.0422 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 0.0616 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -0.7500 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9268 3.1139 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8927 1.6183 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3213 2.8330 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 1.2785 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 2.4186 3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 3.0416 4.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6237 4.4918 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 5.0742 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 4.6643 4.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 4.1504 3.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 6.9379 3.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1113 6.3882 2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 7.6843 4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 6.3556 5.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 4.7297 4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 5.9324 3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 7.2797 4.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 6.0464 6.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 4.3645 5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 5.7352 5.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 5.3533 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 6.7422 3.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 5.1827 2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 5.5822 3.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9528 6.3008 4.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 4.6065 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 2.9288 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 3.1527 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 3.0094 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 -0.1823 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 2.6537 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 1.1225 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -0.1896 2.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -0.6814 4.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 -1.7668 5.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -2.3761 6.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -3.7667 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -2.2310 5.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 -4.2699 4.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 -2.5934 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 -0.3658 4.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -1.7234 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 -3.8182 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 0.2753 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 0.9757 -0.4338 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 2 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 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 41 43 1 0 0 0 0 25 44 1 0 0 0 0 44 45 1 0 0 0 0 44 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 50 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 1 0 0 0 0 46 59 1 0 0 0 0 59 60 1 0 0 0 0 59 23 1 0 0 0 0 57 48 1 0 0 0 0 1 61 1 0 0 0 0 1 62 1 0 0 0 0 1 63 1 0 0 0 0 2 64 1 6 0 0 0 3 65 1 0 0 0 0 3 66 1 0 0 0 0 3 67 1 0 0 0 0 4 68 1 0 0 0 0 4 69 1 0 0 0 0 5 70 1 0 0 0 0 5 71 1 0 0 0 0 6 72 1 0 0 0 0 6 73 1 0 0 0 0 7 74 1 0 0 0 0 7 75 1 0 0 0 0 8 76 1 0 0 0 0 8 77 1 0 0 0 0 9 78 1 0 0 0 0 9 79 1 0 0 0 0 10 80 1 0 0 0 0 10 81 1 0 0 0 0 11 82 1 0 0 0 0 11 83 1 0 0 0 0 12 84 1 0 0 0 0 12 85 1 0 0 0 0 13 86 1 0 0 0 0 13 87 1 0 0 0 0 14 88 1 0 0 0 0 14 89 1 0 0 0 0 18 90 1 0 0 0 0 18 91 1 0 0 0 0 19 92 1 1 0 0 0 20 93 1 0 0 0 0 21 94 1 0 0 0 0 21 95 1 0 0 0 0 23 96 1 1 0 0 0 25 97 1 6 0 0 0 26 98 1 0 0 0 0 26 99 1 0 0 0 0 30100 1 0 0 0 0 30101 1 0 0 0 0 31102 1 0 0 0 0 31103 1 0 0 0 0 32104 1 0 0 0 0 32105 1 0 0 0 0 33106 1 0 0 0 0 33107 1 0 0 0 0 34108 1 0 0 0 0 34109 1 0 0 0 0 35110 1 0 0 0 0 35111 1 0 0 0 0 36112 1 0 0 0 0 36113 1 0 0 0 0 37114 1 0 0 0 0 37115 1 0 0 0 0 38116 1 0 0 0 0 38117 1 0 0 0 0 39118 1 0 0 0 0 39119 1 0 0 0 0 40120 1 0 0 0 0 40121 1 0 0 0 0 41122 1 6 0 0 0 42123 1 0 0 0 0 42124 1 0 0 0 0 42125 1 0 0 0 0 43126 1 0 0 0 0 43127 1 0 0 0 0 43128 1 0 0 0 0 44129 1 1 0 0 0 45130 1 0 0 0 0 46131 1 1 0 0 0 48132 1 1 0 0 0 50133 1 1 0 0 0 51134 1 0 0 0 0 51135 1 0 0 0 0 52136 1 0 0 0 0 53137 1 1 0 0 0 54138 1 0 0 0 0 55139 1 6 0 0 0 56140 1 0 0 0 0 57141 1 6 0 0 0 58142 1 0 0 0 0 59143 1 6 0 0 0 60144 1 0 0 0 0 M END 3D MOL for NP0003306 (GGL.2)RDKit 3D 144145 0 0 0 0 0 0 0 0999 V2000 1.5735 -7.2377 -3.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -6.3466 -3.9876 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2555 -7.0485 -4.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 -5.4734 -3.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 -6.3172 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 -5.4872 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -4.5623 -1.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 -5.3377 -2.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 -4.5775 -3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6656 -3.5274 -4.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 -2.2403 -3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0931 -1.3223 -5.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -0.0175 -4.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9862 0.7453 -3.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 2.0730 -3.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0014 3.0101 -4.1051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 2.4374 -2.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 3.7842 -2.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 4.2153 -2.0772 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5975 5.6344 -2.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 3.6360 -2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 2.3323 -2.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 2.1925 -0.9643 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4755 1.9904 -1.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 0.7547 -0.4554 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1747 0.2971 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2703 1.0418 -0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 1.2962 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 0.7726 1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0509 2.1748 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 2.3089 2.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 2.9533 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 4.3792 2.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 4.8065 3.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 6.2433 3.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2861 6.6045 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0433 5.7820 4.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 6.1953 5.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3425 5.4295 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 5.6456 3.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 4.9217 3.1469 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2859 5.3549 4.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 3.4332 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 0.6739 0.9428 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5869 1.8076 1.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.5277 0.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4475 -0.7879 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -1.0814 2.0891 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5434 -1.8069 2.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.7539 4.2573 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9409 -2.3759 5.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 -3.6871 4.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 -2.4553 4.3270 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2068 -3.8197 4.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -1.9511 3.2478 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5908 -0.6336 3.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -1.9490 1.9444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1288 -3.3039 1.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 1.1018 -0.3677 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9964 1.6059 -0.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -6.7465 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -7.3233 -3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -8.2425 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 -5.6288 -4.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -8.1260 -4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 -6.9830 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 -6.5663 -4.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -4.7908 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -4.8613 -3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 -7.0267 -2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -6.8651 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -4.8240 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -6.0787 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 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50133 1 1 0 0 0 51134 1 0 0 0 0 51135 1 0 0 0 0 52136 1 0 0 0 0 53137 1 1 0 0 0 54138 1 0 0 0 0 55139 1 6 0 0 0 56140 1 0 0 0 0 57141 1 6 0 0 0 58142 1 0 0 0 0 59143 1 6 0 0 0 60144 1 0 0 0 0 M END > <DATABASE_ID> NP0003306 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@@]([H])(O[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])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@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] > <INCHI_IDENTIFIER> InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(48)55-28-33(47)29-57-44-42(54)43(60-45-41(53)40(52)38(50)34(27-46)58-45)39(51)35(59-44)30-56-37(49)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-35,38-47,50-54H,5-30H2,1-4H3/t33-,34+,35-,38-,39+,40+,41-,42+,43-,44+,45-/m0/s1 > <INCHI_KEY> SJJVZUVBVKZIAT-UHFFFAOYSA-N > <FORMULA> C45H84O15 > <MOLECULAR_WEIGHT> 865.152 > <EXACT_MASS> 864.581022005 > <JCHEM_ACCEPTOR_COUNT> 13 > <JCHEM_ATOM_COUNT> 144 > <JCHEM_AVERAGE_POLARIZABILITY> 96.69071529930565 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2R)-3-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[(13-methyltetradecanoyl)oxy]methyl}-4-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxypropyl 13-methyltetradecanoate > <ALOGPS_LOGP> 5.18 > <JCHEM_LOGP> 7.257186023333334 > <ALOGPS_LOGS> -4.70 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 12.441859171467076 > <JCHEM_PKA_STRONGEST_ACIDIC> 11.932647564036776 > <JCHEM_PKA_STRONGEST_BASIC> -2.9810835653396 > <JCHEM_POLAR_SURFACE_AREA> 231.12999999999997 > <JCHEM_REFRACTIVITY> 223.21870000000004 > <JCHEM_ROTATABLE_BOND_COUNT> 36 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.73e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (2R)-3-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[(13-methyltetradecanoyl)oxy]methyl}-4-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxypropyl 13-methyltetradecanoate > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0003306 (GGL.2)RDKit 3D 144145 0 0 0 0 0 0 0 0999 V2000 1.5735 -7.2377 -3.2293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6378 -6.3466 -3.9876 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2555 -7.0485 -4.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1239 -5.4734 -3.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9158 -6.3172 -2.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 -5.4872 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -4.5623 -1.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6999 -5.3377 -2.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7835 -4.5775 -3.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6656 -3.5274 -4.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 -2.2403 -3.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0931 -1.3223 -5.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 -0.0175 -4.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9862 0.7453 -3.5947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3928 2.0730 -3.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0014 3.0101 -4.1051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2516 2.4374 -2.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9064 3.7842 -2.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 4.2153 -2.0772 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5975 5.6344 -2.3388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 3.6360 -2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 2.3323 -2.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 2.1925 -0.9643 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4755 1.9904 -1.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 0.7547 -0.4554 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1747 0.2971 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2703 1.0418 -0.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8395 1.2962 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3275 0.7726 1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0509 2.1748 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 2.3089 2.3943 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 2.9533 3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 4.3792 2.7961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8271 4.8065 3.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4327 6.2433 3.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2861 6.6045 4.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0433 5.7820 4.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9449 6.1953 5.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3425 5.4295 4.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8944 5.6456 3.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 4.9217 3.1469 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2859 5.3549 4.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 3.4332 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 0.6739 0.9428 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5869 1.8076 1.7209 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 0.5277 0.9200 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4475 -0.7879 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 -1.0814 2.0891 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5434 -1.8069 2.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -1.7539 4.2573 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9409 -2.3759 5.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 -3.6871 4.8953 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3398 -2.4553 4.3270 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2068 -3.8197 4.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2746 -1.9511 3.2478 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5908 -0.6336 3.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 -1.9490 1.9444 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1288 -3.3039 1.7453 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3189 1.1018 -0.3677 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9964 1.6059 -0.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -6.7465 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -7.3233 -3.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 -8.2425 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 -5.6288 -4.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -8.1260 -4.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1972 -6.9830 -5.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 -6.5663 -4.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 -4.7908 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8611 -4.8613 -3.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 -7.0267 -2.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1359 -6.8651 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9771 -4.8240 -0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2231 -6.0787 -0.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -3.8528 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -4.0113 -0.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2032 -6.0599 -3.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1853 -6.0757 -1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5296 -5.3622 -3.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -4.1574 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3457 -3.9006 -5.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7376 -3.1793 -4.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 -2.3178 -3.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -1.7143 -2.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4756 -1.8556 -5.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1287 -1.2879 -5.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4551 0.6589 -5.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -0.2200 -4.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0868 0.8164 -3.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 0.1738 -2.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 4.1273 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7891 4.3516 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 4.1186 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1454 6.0747 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 4.2779 -2.4773 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 3.6394 -3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9517 3.1973 -0.5231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 0.0422 -1.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 0.0616 -1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3736 -0.7500 -0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9268 3.1139 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8927 1.6183 0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3213 2.8330 2.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5006 1.2785 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3607 2.4186 3.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7083 3.0416 4.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6237 4.4918 1.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8176 5.0742 3.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0709 4.6643 4.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 4.1504 3.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2840 6.9379 3.6496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1113 6.3882 2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 7.6843 4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 6.3556 5.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2823 4.7297 4.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 5.9324 3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7001 7.2797 4.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2684 6.0464 6.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 4.3645 5.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1081 5.7352 5.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 5.3533 2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1143 6.7422 3.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4971 5.1827 2.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 5.5822 3.5369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9528 6.3008 4.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4639 4.6065 4.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 2.9288 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3095 3.1527 3.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0417 3.0094 3.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 -0.1823 1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3496 2.6537 1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 1.1225 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5816 -0.1896 2.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 -0.6814 4.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8694 -1.7668 5.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -2.3761 6.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1372 -3.7667 4.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7671 -2.2310 5.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7675 -4.2699 4.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1775 -2.5934 3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 -0.3658 4.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -1.7234 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 -3.8182 1.8688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1319 0.2753 -1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6798 0.9757 -0.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 25 44 1 0 44 45 1 0 44 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 50 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 46 59 1 0 59 60 1 0 59 23 1 0 57 48 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 6 3 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 6 73 1 0 7 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 9 79 1 0 10 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 12 85 1 0 13 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 18 90 1 0 18 91 1 0 19 92 1 1 20 93 1 0 21 94 1 0 21 95 1 0 23 96 1 1 25 97 1 6 26 98 1 0 26 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 6 42123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 1 0 44129 1 1 45130 1 0 46131 1 1 48132 1 1 50133 1 1 51134 1 0 51135 1 0 52136 1 0 53137 1 1 54138 1 0 55139 1 6 56140 1 0 57141 1 6 58142 1 0 59143 1 6 60144 1 0 M END PDB for NP0003306 (GGL.2)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 1.573 -7.238 -3.229 0.00 0.00 C+0 HETATM 2 C UNK 0 0.638 -6.347 -3.988 0.00 0.00 C+0 HETATM 3 C UNK 0 -0.256 -7.048 -4.951 0.00 0.00 C+0 HETATM 4 C UNK 0 -0.124 -5.473 -3.011 0.00 0.00 C+0 HETATM 5 C UNK 0 -0.916 -6.317 -2.040 0.00 0.00 C+0 HETATM 6 C UNK 0 -1.682 -5.487 -1.074 0.00 0.00 C+0 HETATM 7 C UNK 0 -2.712 -4.562 -1.735 0.00 0.00 C+0 HETATM 8 C UNK 0 -3.700 -5.338 -2.516 0.00 0.00 C+0 HETATM 9 C UNK 0 -4.784 -4.577 -3.112 0.00 0.00 C+0 HETATM 10 C UNK 0 -4.666 -3.527 -4.098 0.00 0.00 C+0 HETATM 11 C UNK 0 -3.945 -2.240 -3.791 0.00 0.00 C+0 HETATM 12 C UNK 0 -4.093 -1.322 -5.035 0.00 0.00 C+0 HETATM 13 C UNK 0 -3.447 -0.018 -4.786 0.00 0.00 C+0 HETATM 14 C UNK 0 -3.986 0.745 -3.595 0.00 0.00 C+0 HETATM 15 C UNK 0 -3.393 2.073 -3.472 0.00 0.00 C+0 HETATM 16 O UNK 0 -4.001 3.010 -4.105 0.00 0.00 O+0 HETATM 17 O UNK 0 -2.252 2.437 -2.754 0.00 0.00 O+0 HETATM 18 C UNK 0 -1.906 3.784 -2.802 0.00 0.00 C+0 HETATM 19 C UNK 0 -0.665 4.215 -2.077 0.00 0.00 C+0 HETATM 20 O UNK 0 -0.598 5.634 -2.339 0.00 0.00 O+0 HETATM 21 C UNK 0 0.576 3.636 -2.684 0.00 0.00 C+0 HETATM 22 O UNK 0 0.770 2.332 -2.340 0.00 0.00 O+0 HETATM 23 C UNK 0 1.076 2.192 -0.964 0.00 0.00 C+0 HETATM 24 O UNK 0 2.475 1.990 -1.011 0.00 0.00 O+0 HETATM 25 C UNK 0 2.811 0.755 -0.455 0.00 0.00 C+0 HETATM 26 C UNK 0 4.175 0.297 -0.824 0.00 0.00 C+0 HETATM 27 O UNK 0 5.270 1.042 -0.476 0.00 0.00 O+0 HETATM 28 C UNK 0 5.840 1.296 0.736 0.00 0.00 C+0 HETATM 29 O UNK 0 5.327 0.773 1.743 0.00 0.00 O+0 HETATM 30 C UNK 0 7.051 2.175 0.918 0.00 0.00 C+0 HETATM 31 C UNK 0 7.370 2.309 2.394 0.00 0.00 C+0 HETATM 32 C UNK 0 6.293 2.953 3.198 0.00 0.00 C+0 HETATM 33 C UNK 0 5.985 4.379 2.796 0.00 0.00 C+0 HETATM 34 C UNK 0 4.827 4.806 3.716 0.00 0.00 C+0 HETATM 35 C UNK 0 4.433 6.243 3.468 0.00 0.00 C+0 HETATM 36 C UNK 0 3.286 6.604 4.356 0.00 0.00 C+0 HETATM 37 C UNK 0 2.043 5.782 4.089 0.00 0.00 C+0 HETATM 38 C UNK 0 0.945 6.195 5.021 0.00 0.00 C+0 HETATM 39 C UNK 0 -0.343 5.430 4.806 0.00 0.00 C+0 HETATM 40 C UNK 0 -0.894 5.646 3.422 0.00 0.00 C+0 HETATM 41 C UNK 0 -2.176 4.922 3.147 0.00 0.00 C+0 HETATM 42 C UNK 0 -3.286 5.355 4.098 0.00 0.00 C+0 HETATM 43 C UNK 0 -2.092 3.433 3.213 0.00 0.00 C+0 HETATM 44 C UNK 0 2.356 0.674 0.943 0.00 0.00 C+0 HETATM 45 O UNK 0 2.587 1.808 1.721 0.00 0.00 O+0 HETATM 46 C UNK 0 0.841 0.528 0.920 0.00 0.00 C+0 HETATM 47 O UNK 0 0.448 -0.788 1.016 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.330 -1.081 2.089 0.00 0.00 C+0 HETATM 49 O UNK 0 0.543 -1.807 2.982 0.00 0.00 O+0 HETATM 50 C UNK 0 -0.030 -1.754 4.257 0.00 0.00 C+0 HETATM 51 C UNK 0 0.941 -2.376 5.224 0.00 0.00 C+0 HETATM 52 O UNK 0 1.200 -3.687 4.895 0.00 0.00 O+0 HETATM 53 C UNK 0 -1.340 -2.455 4.327 0.00 0.00 C+0 HETATM 54 O UNK 0 -1.207 -3.820 4.239 0.00 0.00 O+0 HETATM 55 C UNK 0 -2.275 -1.951 3.248 0.00 0.00 C+0 HETATM 56 O UNK 0 -2.591 -0.634 3.553 0.00 0.00 O+0 HETATM 57 C UNK 0 -1.502 -1.949 1.944 0.00 0.00 C+0 HETATM 58 O UNK 0 -1.129 -3.304 1.745 0.00 0.00 O+0 HETATM 59 C UNK 0 0.319 1.102 -0.368 0.00 0.00 C+0 HETATM 60 O UNK 0 -0.996 1.606 -0.123 0.00 0.00 O+0 HETATM 61 H UNK 0 1.804 -6.747 -2.260 0.00 0.00 H+0 HETATM 62 H UNK 0 2.528 -7.323 -3.782 0.00 0.00 H+0 HETATM 63 H UNK 0 1.113 -8.242 -3.071 0.00 0.00 H+0 HETATM 64 H UNK 0 1.284 -5.629 -4.579 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.394 -8.126 -4.770 0.00 0.00 H+0 HETATM 66 H UNK 0 0.197 -6.983 -5.968 0.00 0.00 H+0 HETATM 67 H UNK 0 -1.254 -6.566 -4.918 0.00 0.00 H+0 HETATM 68 H UNK 0 0.562 -4.791 -2.471 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.861 -4.861 -3.566 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.520 -7.027 -2.631 0.00 0.00 H+0 HETATM 71 H UNK 0 -0.136 -6.865 -1.430 0.00 0.00 H+0 HETATM 72 H UNK 0 -0.977 -4.824 -0.535 0.00 0.00 H+0 HETATM 73 H UNK 0 -2.223 -6.079 -0.312 0.00 0.00 H+0 HETATM 74 H UNK 0 -2.094 -3.853 -2.302 0.00 0.00 H+0 HETATM 75 H UNK 0 -3.186 -4.011 -0.900 0.00 0.00 H+0 HETATM 76 H UNK 0 -3.203 -6.060 -3.233 0.00 0.00 H+0 HETATM 77 H UNK 0 -4.185 -6.076 -1.782 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.530 -5.362 -3.543 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.393 -4.157 -2.220 0.00 0.00 H+0 HETATM 80 H UNK 0 -4.346 -3.901 -5.125 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.738 -3.179 -4.338 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.865 -2.318 -3.674 0.00 0.00 H+0 HETATM 83 H UNK 0 -4.480 -1.714 -2.991 0.00 0.00 H+0 HETATM 84 H UNK 0 -3.476 -1.856 -5.808 0.00 0.00 H+0 HETATM 85 H UNK 0 -5.129 -1.288 -5.380 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.455 0.659 -5.647 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.359 -0.220 -4.554 0.00 0.00 H+0 HETATM 88 H UNK 0 -5.087 0.816 -3.730 0.00 0.00 H+0 HETATM 89 H UNK 0 -3.808 0.174 -2.644 0.00 0.00 H+0 HETATM 90 H UNK 0 -1.816 4.127 -3.877 0.00 0.00 H+0 HETATM 91 H UNK 0 -2.789 4.352 -2.376 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.771 4.119 -1.011 0.00 0.00 H+0 HETATM 93 H UNK 0 -1.145 6.075 -1.626 0.00 0.00 H+0 HETATM 94 H UNK 0 1.468 4.278 -2.477 0.00 0.00 H+0 HETATM 95 H UNK 0 0.401 3.639 -3.805 0.00 0.00 H+0 HETATM 96 H UNK 0 0.952 3.197 -0.523 0.00 0.00 H+0 HETATM 97 H UNK 0 2.118 0.042 -1.035 0.00 0.00 H+0 HETATM 98 H UNK 0 4.162 0.062 -1.940 0.00 0.00 H+0 HETATM 99 H UNK 0 4.374 -0.750 -0.398 0.00 0.00 H+0 HETATM 100 H UNK 0 6.927 3.114 0.388 0.00 0.00 H+0 HETATM 101 H UNK 0 7.893 1.618 0.455 0.00 0.00 H+0 HETATM 102 H UNK 0 8.321 2.833 2.524 0.00 0.00 H+0 HETATM 103 H UNK 0 7.501 1.278 2.789 0.00 0.00 H+0 HETATM 104 H UNK 0 5.361 2.419 3.305 0.00 0.00 H+0 HETATM 105 H UNK 0 6.708 3.042 4.251 0.00 0.00 H+0 HETATM 106 H UNK 0 5.624 4.492 1.773 0.00 0.00 H+0 HETATM 107 H UNK 0 6.818 5.074 3.042 0.00 0.00 H+0 HETATM 108 H UNK 0 5.071 4.664 4.773 0.00 0.00 H+0 HETATM 109 H UNK 0 3.987 4.150 3.401 0.00 0.00 H+0 HETATM 110 H UNK 0 5.284 6.938 3.650 0.00 0.00 H+0 HETATM 111 H UNK 0 4.111 6.388 2.410 0.00 0.00 H+0 HETATM 112 H UNK 0 3.052 7.684 4.334 0.00 0.00 H+0 HETATM 113 H UNK 0 3.575 6.356 5.418 0.00 0.00 H+0 HETATM 114 H UNK 0 2.282 4.730 4.243 0.00 0.00 H+0 HETATM 115 H UNK 0 1.745 5.932 3.019 0.00 0.00 H+0 HETATM 116 H UNK 0 0.700 7.280 4.930 0.00 0.00 H+0 HETATM 117 H UNK 0 1.268 6.046 6.072 0.00 0.00 H+0 HETATM 118 H UNK 0 -0.114 4.364 5.008 0.00 0.00 H+0 HETATM 119 H UNK 0 -1.108 5.735 5.539 0.00 0.00 H+0 HETATM 120 H UNK 0 -0.139 5.353 2.688 0.00 0.00 H+0 HETATM 121 H UNK 0 -1.114 6.742 3.250 0.00 0.00 H+0 HETATM 122 H UNK 0 -2.497 5.183 2.115 0.00 0.00 H+0 HETATM 123 H UNK 0 -4.214 5.582 3.537 0.00 0.00 H+0 HETATM 124 H UNK 0 -2.953 6.301 4.591 0.00 0.00 H+0 HETATM 125 H UNK 0 -3.464 4.606 4.897 0.00 0.00 H+0 HETATM 126 H UNK 0 -1.951 2.929 2.231 0.00 0.00 H+0 HETATM 127 H UNK 0 -1.310 3.153 3.942 0.00 0.00 H+0 HETATM 128 H UNK 0 -3.042 3.009 3.613 0.00 0.00 H+0 HETATM 129 H UNK 0 2.837 -0.182 1.447 0.00 0.00 H+0 HETATM 130 H UNK 0 2.350 2.654 1.322 0.00 0.00 H+0 HETATM 131 H UNK 0 0.398 1.123 1.755 0.00 0.00 H+0 HETATM 132 H UNK 0 -0.582 -0.190 2.727 0.00 0.00 H+0 HETATM 133 H UNK 0 -0.162 -0.681 4.489 0.00 0.00 H+0 HETATM 134 H UNK 0 1.869 -1.767 5.334 0.00 0.00 H+0 HETATM 135 H UNK 0 0.464 -2.376 6.246 0.00 0.00 H+0 HETATM 136 H UNK 0 2.137 -3.767 4.520 0.00 0.00 H+0 HETATM 137 H UNK 0 -1.767 -2.231 5.343 0.00 0.00 H+0 HETATM 138 H UNK 0 -1.768 -4.270 4.921 0.00 0.00 H+0 HETATM 139 H UNK 0 -3.178 -2.593 3.183 0.00 0.00 H+0 HETATM 140 H UNK 0 -2.276 -0.366 4.455 0.00 0.00 H+0 HETATM 141 H UNK 0 -2.173 -1.723 1.099 0.00 0.00 H+0 HETATM 142 H UNK 0 -1.965 -3.818 1.869 0.00 0.00 H+0 HETATM 143 H UNK 0 0.132 0.275 -1.117 0.00 0.00 H+0 HETATM 144 H UNK 0 -1.680 0.976 -0.434 0.00 0.00 H+0 CONECT 1 2 61 62 63 CONECT 2 1 3 4 64 CONECT 3 2 65 66 67 CONECT 4 2 5 68 69 CONECT 5 4 6 70 71 CONECT 6 5 7 72 73 CONECT 7 6 8 74 75 CONECT 8 7 9 76 77 CONECT 9 8 10 78 79 CONECT 10 9 11 80 81 CONECT 11 10 12 82 83 CONECT 12 11 13 84 85 CONECT 13 12 14 86 87 CONECT 14 13 15 88 89 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 CONECT 18 17 19 90 91 CONECT 19 18 20 21 92 CONECT 20 19 93 CONECT 21 19 22 94 95 CONECT 22 21 23 CONECT 23 22 24 59 96 CONECT 24 23 25 CONECT 25 24 26 44 97 CONECT 26 25 27 98 99 CONECT 27 26 28 CONECT 28 27 29 30 CONECT 29 28 CONECT 30 28 31 100 101 CONECT 31 30 32 102 103 CONECT 32 31 33 104 105 CONECT 33 32 34 106 107 CONECT 34 33 35 108 109 CONECT 35 34 36 110 111 CONECT 36 35 37 112 113 CONECT 37 36 38 114 115 CONECT 38 37 39 116 117 CONECT 39 38 40 118 119 CONECT 40 39 41 120 121 CONECT 41 40 42 43 122 CONECT 42 41 123 124 125 CONECT 43 41 126 127 128 CONECT 44 25 45 46 129 CONECT 45 44 130 CONECT 46 44 47 59 131 CONECT 47 46 48 CONECT 48 47 49 57 132 CONECT 49 48 50 CONECT 50 49 51 53 133 CONECT 51 50 52 134 135 CONECT 52 51 136 CONECT 53 50 54 55 137 CONECT 54 53 138 CONECT 55 53 56 57 139 CONECT 56 55 140 CONECT 57 55 58 48 141 CONECT 58 57 142 CONECT 59 46 60 23 143 CONECT 60 59 144 CONECT 61 1 CONECT 62 1 CONECT 63 1 CONECT 64 2 CONECT 65 3 CONECT 66 3 CONECT 67 3 CONECT 68 4 CONECT 69 4 CONECT 70 5 CONECT 71 5 CONECT 72 6 CONECT 73 6 CONECT 74 7 CONECT 75 7 CONECT 76 8 CONECT 77 8 CONECT 78 9 CONECT 79 9 CONECT 80 10 CONECT 81 10 CONECT 82 11 CONECT 83 11 CONECT 84 12 CONECT 85 12 CONECT 86 13 CONECT 87 13 CONECT 88 14 CONECT 89 14 CONECT 90 18 CONECT 91 18 CONECT 92 19 CONECT 93 20 CONECT 94 21 CONECT 95 21 CONECT 96 23 CONECT 97 25 CONECT 98 26 CONECT 99 26 CONECT 100 30 CONECT 101 30 CONECT 102 31 CONECT 103 31 CONECT 104 32 CONECT 105 32 CONECT 106 33 CONECT 107 33 CONECT 108 34 CONECT 109 34 CONECT 110 35 CONECT 111 35 CONECT 112 36 CONECT 113 36 CONECT 114 37 CONECT 115 37 CONECT 116 38 CONECT 117 38 CONECT 118 39 CONECT 119 39 CONECT 120 40 CONECT 121 40 CONECT 122 41 CONECT 123 42 CONECT 124 42 CONECT 125 42 CONECT 126 43 CONECT 127 43 CONECT 128 43 CONECT 129 44 CONECT 130 45 CONECT 131 46 CONECT 132 48 CONECT 133 50 CONECT 134 51 CONECT 135 51 CONECT 136 52 CONECT 137 53 CONECT 138 54 CONECT 139 55 CONECT 140 56 CONECT 141 57 CONECT 142 58 CONECT 143 59 CONECT 144 60 MASTER 0 0 0 0 0 0 0 0 144 0 290 0 END SMILES for NP0003306 (GGL.2)[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@]2([H])[C@@]([H])(O[H])[C@]([H])(OC([H])([H])[C@@]([H])(O[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])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@@]2([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H] INCHI for NP0003306 (GGL.2)InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(48)55-28-33(47)29-57-44-42(54)43(60-45-41(53)40(52)38(50)34(27-46)58-45)39(51)35(59-44)30-56-37(49)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-35,38-47,50-54H,5-30H2,1-4H3/t33-,34+,35-,38-,39+,40+,41-,42+,43-,44+,45-/m0/s1 3D Structure for NP0003306 (GGL.2) | 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Synonyms |
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Chemical Formula | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2R)-3-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[(13-methyltetradecanoyl)oxy]methyl}-4-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxypropyl 13-methyltetradecanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2R)-3-{[(2R,3R,4S,5R,6S)-3,5-dihydroxy-6-{[(13-methyltetradecanoyl)oxy]methyl}-4-{[(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-hydroxypropyl 13-methyltetradecanoate | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)CCCCCCCCCCCC(=O)OCC(O)COC1OC(COC(=O)CCCCCCCCCCCC(C)C)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C45H84O15/c1-31(2)23-19-15-11-7-5-9-13-17-21-25-36(48)55-28-33(47)29-57-44-42(54)43(60-45-41(53)40(52)38(50)34(27-46)58-45)39(51)35(59-44)30-56-37(49)26-22-18-14-10-6-8-12-16-20-24-32(3)4/h31-35,38-47,50-54H,5-30H2,1-4H3 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | SJJVZUVBVKZIAT-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
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Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA019614 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78444423 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139588557 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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