Showing NP-Card for pescaprein xxii (NP0146125)
| Record Information | ||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Version | 2.0 | |||||||||||||||
| Created at | 2022-09-02 01:27:41 UTC | |||||||||||||||
| Updated at | 2022-09-02 01:27:41 UTC | |||||||||||||||
| NP-MRD ID | NP0146125 | |||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||
| Natural Product Identification | ||||||||||||||||
| Common Name | pescaprein xxii | |||||||||||||||
| Description | Pescaprein XXII 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. Pescaprein XXII is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. pescaprein xxii is found in Ipomoea pes-caprae. Based on a literature review very few articles have been published on pescaprein XXII. | |||||||||||||||
| Structure |  MOL for NP0146125 (pescaprein xxii)Mrv1652309022203272D 97103 0 0 1 0 999 V2000 10.0283 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8079 -1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2111 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8347 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6143 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2379 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0175 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6411 -3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4207 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0443 -3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8239 -3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4475 -3.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9798 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7593 -2.2050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3830 -2.7450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2271 -3.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8507 -4.0953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6302 -3.8252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7862 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2539 -4.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0980 -5.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7216 -5.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5897 -6.6086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9883 -5.8863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5620 -5.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8131 -5.8704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2117 -5.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2393 -6.5767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0642 -6.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8407 -7.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0159 -7.3150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4758 -7.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7158 -7.6177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6706 -8.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9346 -8.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8895 -9.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1535 -10.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1083 -10.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8507 -7.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2271 -7.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4475 -7.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8239 -7.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0443 -7.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4207 -6.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5766 -5.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3561 -5.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5120 -4.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2916 -4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9415 -3.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9152 -5.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6948 -4.9054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3184 -5.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1625 -6.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1625 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3184 -1.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0980 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6948 -1.1248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8507 -0.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6302 -0.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2539 -0.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0334 -0.3146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6571 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1893 0.4955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.9689 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5925 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4366 -0.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3721 0.4955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.5280 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7753 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5657 1.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7216 1.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7862 0.7655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1625 1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3184 2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0980 2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6948 2.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8507 3.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2271 4.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4475 3.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8239 4.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9798 5.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7593 5.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3830 4.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9152 -1.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2916 -0.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4475 -0.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2271 0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3830 1.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8549 1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7593 1.5757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9152 2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9798 1.3056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3561 1.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8239 0.4955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0443 0.2254 0.0000 O 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 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 14 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 6 0 0 0 19 21 1 0 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 24 23 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 1 0 0 0 25 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 1 0 0 0 29 31 1 0 0 0 0 32 31 1 1 0 0 0 24 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 6 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 34 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 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 2 0 0 0 0 49 51 1 0 0 0 0 52 51 1 6 0 0 0 18 52 1 0 0 0 0 52 53 1 0 0 0 0 22 53 1 0 0 0 0 53 54 1 6 0 0 0 16 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 6 0 0 0 56 58 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 6 0 0 0 62 64 1 0 0 0 0 64 65 1 1 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 1 0 0 0 68 70 1 0 0 0 0 70 71 1 0 0 0 0 64 72 1 0 0 0 0 72 73 1 6 0 0 0 72 74 1 0 0 0 0 60 74 1 0 0 0 0 74 75 1 6 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 78 79 2 0 0 0 0 79 80 1 0 0 0 0 80 81 2 0 0 0 0 81 82 1 0 0 0 0 82 83 2 0 0 0 0 83 84 1 0 0 0 0 84 85 2 0 0 0 0 80 85 1 0 0 0 0 58 86 1 0 0 0 0 15 86 1 0 0 0 0 86 87 1 6 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 6 0 0 0 90 92 1 0 0 0 0 92 93 1 1 0 0 0 92 94 1 0 0 0 0 94 95 1 6 0 0 0 94 96 1 0 0 0 0 88 96 1 0 0 0 0 96 97 1 6 0 0 0 M END 3D SDF for NP0146125 (pescaprein xxii)
Mrv1652309022203272D
97103 0 0 1 0 999 V2000
10.0283 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8079 -1.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4315 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2111 -2.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8347 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6143 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2379 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0175 -2.7450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6411 -3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4207 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0443 -3.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8239 -3.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4475 -3.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.9798 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.7593 -2.2050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.3830 -2.7450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2271 -3.5552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.8507 -4.0953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.6302 -3.8252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
20.7862 -3.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2539 -4.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.0980 -5.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.7216 -5.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.5897 -6.6086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
21.9883 -5.8863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.5620 -5.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.8131 -5.8704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.2117 -5.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.2393 -6.5767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
24.0642 -6.5608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.8407 -7.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.0159 -7.3150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.4758 -7.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7158 -7.6177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.6706 -8.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.9346 -8.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8895 -9.6380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1535 -10.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.1083 -10.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8507 -7.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2271 -7.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4475 -7.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8239 -7.0658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.0443 -7.3358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.4207 -6.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5766 -5.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3561 -5.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5120 -4.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.2916 -4.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9415 -3.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.9152 -5.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.6948 -4.9054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.3184 -5.4455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.1625 -6.2556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.1625 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3184 -1.6649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.0980 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.6948 -1.1248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.8507 -0.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.6302 -0.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
21.2539 -0.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.0334 -0.3146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.6571 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1893 0.4955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
22.9689 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.5925 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.4366 -0.5847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.3721 0.4955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
24.5280 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.9957 -0.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.7753 0.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5657 1.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.7216 1.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7862 0.7655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.1625 1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3184 2.1158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0980 2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.6948 2.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8507 3.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.2271 4.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.4475 3.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8239 4.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.9798 5.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7593 5.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.3830 4.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.9152 -1.3948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.2916 -0.8547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.4475 -0.0446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.2271 0.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.3830 1.0356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.8549 1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.7593 1.5757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
18.9152 2.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.9798 1.3056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.3561 1.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.8239 0.4955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.0443 0.2254 0.0000 O 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
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
15 14 1 6 0 0 0
15 16 1 0 0 0 0
16 17 1 1 0 0 0
18 17 1 1 0 0 0
18 19 1 0 0 0 0
19 20 1 6 0 0 0
19 21 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
24 23 1 6 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
25 27 1 0 0 0 0
27 28 1 1 0 0 0
27 29 1 0 0 0 0
29 30 1 1 0 0 0
29 31 1 0 0 0 0
32 31 1 1 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 6 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
34 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 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 2 0 0 0 0
49 51 1 0 0 0 0
52 51 1 6 0 0 0
18 52 1 0 0 0 0
52 53 1 0 0 0 0
22 53 1 0 0 0 0
53 54 1 6 0 0 0
16 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 6 0 0 0
56 58 1 0 0 0 0
58 59 1 1 0 0 0
60 59 1 1 0 0 0
60 61 1 0 0 0 0
61 62 1 0 0 0 0
62 63 1 6 0 0 0
62 64 1 0 0 0 0
64 65 1 1 0 0 0
65 66 1 0 0 0 0
66 67 2 0 0 0 0
66 68 1 0 0 0 0
68 69 1 1 0 0 0
68 70 1 0 0 0 0
70 71 1 0 0 0 0
64 72 1 0 0 0 0
72 73 1 6 0 0 0
72 74 1 0 0 0 0
60 74 1 0 0 0 0
74 75 1 6 0 0 0
75 76 1 0 0 0 0
76 77 2 0 0 0 0
76 78 1 0 0 0 0
78 79 2 0 0 0 0
79 80 1 0 0 0 0
80 81 2 0 0 0 0
81 82 1 0 0 0 0
82 83 2 0 0 0 0
83 84 1 0 0 0 0
84 85 2 0 0 0 0
80 85 1 0 0 0 0
58 86 1 0 0 0 0
15 86 1 0 0 0 0
86 87 1 6 0 0 0
88 87 1 1 0 0 0
88 89 1 0 0 0 0
89 90 1 0 0 0 0
90 91 1 6 0 0 0
90 92 1 0 0 0 0
92 93 1 1 0 0 0
92 94 1 0 0 0 0
94 95 1 6 0 0 0
94 96 1 0 0 0 0
88 96 1 0 0 0 0
96 97 1 6 0 0 0
M END
> <DATABASE_ID>
NP0146125
> <DATABASE_NAME>
NP-MRD
> <SMILES>
CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2OC(=O)\C=C\C2=CC=CC=C2)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
> <INCHI_IDENTIFIER>
InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-71-64(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)87-71)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)86-69-58(82)62(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1
> <INCHI_KEY>
CSINLULLXMOZES-GMYURCAZSA-N
> <FORMULA>
C72H116O25
> <MOLECULAR_WEIGHT>
1381.695
> <EXACT_MASS>
1380.780569235
> <JCHEM_ACCEPTOR_COUNT>
21
> <JCHEM_ATOM_COUNT>
213
> <JCHEM_AVERAGE_POLARIZABILITY>
150.95756870353924
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
7
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2S,3R,4R,5S,6S)-5-{[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-{[(2S)-2-methylbutanoyl]oxy}-3-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0^{3,8}]hexacosan-23-yl]oxy}-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
> <ALOGPS_LOGP>
5.07
> <JCHEM_LOGP>
12.22059314133333
> <ALOGPS_LOGS>
-4.69
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
7
> <JCHEM_PHYSIOLOGICAL_CHARGE>
0
> <JCHEM_PKA>
12.324336168462445
> <JCHEM_PKA_STRONGEST_ACIDIC>
11.869145336076459
> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121826090014517
> <JCHEM_POLAR_SURFACE_AREA>
339.11
> <JCHEM_REFRACTIVITY>
347.3179
> <JCHEM_ROTATABLE_BOND_COUNT>
30
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.84e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4R,5S,6S)-5-{[(2S,3R,4R,5R,6S)-4-hydroxy-6-methyl-5-{[(2S)-2-methylbutanoyl]oxy}-3-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-2-yl]oxy}-6-methyl-2-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.0^{3,8}]hexacosan-23-yl]oxy}-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl dodecanoate
> <JCHEM_VEBER_RULE>
0
$$$$
PDB for NP0146125 (pescaprein xxii)HEADER PROTEIN 02-SEP-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 02-SEP-22 0 HETATM 1 C UNK 0 18.720 -4.116 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 20.175 -3.612 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 21.339 -4.620 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 22.794 -4.116 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 23.958 -5.124 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 25.413 -4.620 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 26.577 -5.628 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 28.033 -5.124 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 29.197 -6.132 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 30.652 -5.628 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 31.816 -6.636 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 33.271 -6.132 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 34.435 -7.140 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 33.562 -4.620 0.000 0.00 0.00 O+0 HETATM 15 C UNK 0 35.017 -4.116 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 36.182 -5.124 0.000 0.00 0.00 C+0 HETATM 17 O UNK 0 35.890 -6.636 0.000 0.00 0.00 O+0 HETATM 18 C UNK 0 37.055 -7.644 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 38.510 -7.140 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 38.801 -5.628 0.000 0.00 0.00 C+0 HETATM 21 O UNK 0 39.674 -8.149 0.000 0.00 0.00 O+0 HETATM 22 C UNK 0 39.383 -9.661 0.000 0.00 0.00 C+0 HETATM 23 O UNK 0 40.547 -10.669 0.000 0.00 0.00 O+0 HETATM 24 C UNK 0 40.301 -12.336 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 41.045 -10.988 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 40.249 -9.669 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 42.584 -10.958 0.000 0.00 0.00 C+0 HETATM 28 O UNK 0 43.329 -9.610 0.000 0.00 0.00 O+0 HETATM 29 C UNK 0 43.380 -12.277 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 44.920 -12.247 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 42.636 -13.625 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 41.096 -13.655 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 40.088 -14.819 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 38.669 -14.220 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 38.585 -15.757 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 37.211 -16.453 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 37.127 -17.991 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 35.753 -18.687 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 35.669 -20.224 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 37.055 -14.702 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 35.890 -13.693 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 34.435 -14.198 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 33.271 -13.189 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 31.816 -13.693 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 30.652 -12.685 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 30.943 -11.173 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 32.398 -10.669 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 32.689 -9.157 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 34.144 -8.653 0.000 0.00 0.00 C+0 HETATM 50 O UNK 0 33.491 -7.258 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 35.308 -9.661 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 36.764 -9.157 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 37.928 -10.165 0.000 0.00 0.00 C+0 HETATM 54 O UNK 0 37.637 -11.677 0.000 0.00 0.00 O+0 HETATM 55 O UNK 0 37.637 -4.620 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 37.928 -3.108 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 39.383 -2.604 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 36.764 -2.100 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 37.055 -0.587 0.000 0.00 0.00 O+0 HETATM 60 C UNK 0 38.510 -0.083 0.000 0.00 0.00 C+0 HETATM 61 O UNK 0 39.674 -1.091 0.000 0.00 0.00 O+0 HETATM 62 C UNK 0 41.129 -0.587 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 42.293 -1.596 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 41.420 0.925 0.000 0.00 0.00 C+0 HETATM 65 O UNK 0 42.875 1.429 0.000 0.00 0.00 O+0 HETATM 66 C UNK 0 44.039 0.421 0.000 0.00 0.00 C+0 HETATM 67 O UNK 0 43.748 -1.091 0.000 0.00 0.00 O+0 HETATM 68 C UNK 0 45.495 0.925 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 45.786 2.437 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 46.659 -0.083 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 48.114 0.421 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 40.256 1.933 0.000 0.00 0.00 C+0 HETATM 73 O UNK 0 40.547 3.445 0.000 0.00 0.00 O+0 HETATM 74 C UNK 0 38.801 1.429 0.000 0.00 0.00 C+0 HETATM 75 O UNK 0 37.637 2.437 0.000 0.00 0.00 O+0 HETATM 76 C UNK 0 37.928 3.949 0.000 0.00 0.00 C+0 HETATM 77 O UNK 0 39.383 4.453 0.000 0.00 0.00 O+0 HETATM 78 C UNK 0 36.764 4.958 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 37.055 6.470 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 35.890 7.478 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 34.435 6.974 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 33.271 7.982 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 33.562 9.494 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 35.017 9.998 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 36.182 8.990 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 35.308 -2.604 0.000 0.00 0.00 C+0 HETATM 87 O UNK 0 34.144 -1.596 0.000 0.00 0.00 O+0 HETATM 88 C UNK 0 34.435 -0.083 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 35.890 0.421 0.000 0.00 0.00 O+0 HETATM 90 C UNK 0 36.182 1.933 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 37.062 3.196 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 35.017 2.941 0.000 0.00 0.00 C+0 HETATM 93 O UNK 0 35.308 4.453 0.000 0.00 0.00 O+0 HETATM 94 C UNK 0 33.562 2.437 0.000 0.00 0.00 C+0 HETATM 95 O UNK 0 32.398 3.445 0.000 0.00 0.00 O+0 HETATM 96 C UNK 0 33.271 0.925 0.000 0.00 0.00 C+0 HETATM 97 O UNK 0 31.816 0.421 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 CONECT 6 5 7 CONECT 7 6 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 CONECT 11 10 12 CONECT 12 11 13 14 CONECT 13 12 CONECT 14 12 15 CONECT 15 14 16 86 CONECT 16 15 17 55 CONECT 17 16 18 CONECT 18 17 19 52 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 CONECT 22 21 23 53 CONECT 23 22 24 CONECT 24 23 25 32 CONECT 25 24 26 27 CONECT 26 25 CONECT 27 25 28 29 CONECT 28 27 CONECT 29 27 30 31 CONECT 30 29 CONECT 31 29 32 CONECT 32 31 24 33 CONECT 33 32 34 CONECT 34 33 35 40 CONECT 35 34 36 CONECT 36 35 37 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 38 CONECT 40 34 41 CONECT 41 40 42 CONECT 42 41 43 CONECT 43 42 44 CONECT 44 43 45 CONECT 45 44 46 CONECT 46 45 47 CONECT 47 46 48 CONECT 48 47 49 CONECT 49 48 50 51 CONECT 50 49 CONECT 51 49 52 CONECT 52 51 18 53 CONECT 53 52 22 54 CONECT 54 53 CONECT 55 16 56 CONECT 56 55 57 58 CONECT 57 56 CONECT 58 56 59 86 CONECT 59 58 60 CONECT 60 59 61 74 CONECT 61 60 62 CONECT 62 61 63 64 CONECT 63 62 CONECT 64 62 65 72 CONECT 65 64 66 CONECT 66 65 67 68 CONECT 67 66 CONECT 68 66 69 70 CONECT 69 68 CONECT 70 68 71 CONECT 71 70 CONECT 72 64 73 74 CONECT 73 72 CONECT 74 72 60 75 CONECT 75 74 76 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 79 CONECT 79 78 80 CONECT 80 79 81 85 CONECT 81 80 82 CONECT 82 81 83 CONECT 83 82 84 CONECT 84 83 85 CONECT 85 84 80 CONECT 86 58 15 87 CONECT 87 86 88 CONECT 88 87 89 96 CONECT 89 88 90 CONECT 90 89 91 92 CONECT 91 90 CONECT 92 90 93 94 CONECT 93 92 CONECT 94 92 95 96 CONECT 95 94 CONECT 96 94 88 97 CONECT 97 96 MASTER 0 0 0 0 0 0 0 0 97 0 206 0 END SMILES for NP0146125 (pescaprein xxii)CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2OC(=O)\C=C\C2=CC=CC=C2)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O INCHI for NP0146125 (pescaprein xxii)InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-71-64(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)87-71)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)86-69-58(82)62(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 3D Structure for NP0146125 (pescaprein xxii) | |||||||||||||||
| Synonyms |
| |||||||||||||||
| Chemical Formula | C72H116O25 | |||||||||||||||
| Average Mass | 1381.6950 Da | |||||||||||||||
| Monoisotopic Mass | 1380.78057 Da | |||||||||||||||
| IUPAC Name | Not Available | |||||||||||||||
| Traditional Name | Not Available | |||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||
| SMILES | CCCCCCCCCCCC(=O)O[C@H]1[C@H](O[C@H]2[C@H](C)O[C@H]3O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3O)O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(=O)[C@@H](C)CC)[C@@H](O)[C@H]2OC(=O)\C=C\C2=CC=CC=C2)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O | |||||||||||||||
| InChI Identifier | InChI=1S/C72H116O25/c1-10-13-15-16-17-18-21-24-32-38-50(74)92-66-65(97-68-56(80)54(78)52(76)42(5)84-68)61(95-71-64(91-51(75)40-39-47-33-28-26-29-34-47)57(81)59(44(7)87-71)93-67(83)41(4)12-3)46(9)88-72(66)94-60-45(8)86-69-58(82)62(60)90-49(73)37-31-25-22-19-20-23-30-36-48(35-27-14-11-2)89-70-63(96-69)55(79)53(77)43(6)85-70/h26,28-29,33-34,39-46,48,52-66,68-72,76-82H,10-25,27,30-32,35-38H2,1-9H3/b40-39+/t41-,42-,43+,44-,45-,46-,48-,52-,53-,54+,55-,56+,57+,58+,59-,60-,61-,62-,63+,64+,65+,66+,68-,69-,70-,71-,72-/m0/s1 | |||||||||||||||
| InChI Key | CSINLULLXMOZES-GMYURCAZSA-N | |||||||||||||||
| Experimental Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Predicted Spectra | ||||||||||||||||
| Not Available | ||||||||||||||||
| Chemical Shift Submissions | ||||||||||||||||
| Not Available | ||||||||||||||||
| Species | ||||||||||||||||
| Species of Origin |
| |||||||||||||||
| 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 | Aromatic heteropolycyclic compounds | |||||||||||||||
| External Descriptors |
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| Physical Properties | ||||||||||||||||
| State | Not Available | |||||||||||||||
| Experimental Properties |
| |||||||||||||||
| Predicted Properties |
| |||||||||||||||
| External Links | ||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||
| Chemspider ID | 26344905 | |||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||
| BiGG ID | Not Available | |||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||
| METLIN ID | Not Available | |||||||||||||||
| PubChem Compound | 52952206 | |||||||||||||||
| PDB ID | Not Available | |||||||||||||||
| ChEBI ID | 67852 | |||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||
| References | ||||||||||||||||
| General References |
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