Showing NP-Card for Pholipomycin (NP0021795)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2021-01-06 07:03:36 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 17:37:18 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0021795 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Pholipomycin | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | (2R)-3-{[hydroxy({[(2R,3S,4S,5S,6S)-5-hydroxy-3-{[(2S,3R,4R,5S,6R)-4-hydroxy-5-{[(2S,3R,4R,5S,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(C-hydroxycarbonimidoyl)-4-(C-hydroxycarbonimidoyloxy)-5-methyloxan-2-yl]oxy})phosphoryl]oxy}-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Pholipomycin is found in Streptomyces, Streptomyces lividoclavatus and Streptomyces lividoclavatus No.3176. Pholipomycin was first documented in 1977 (PMID: 599080). Based on a literature review very few articles have been published on (2R)-3-{[hydroxy({[(2R,3S,4S,5S,6S)-5-hydroxy-3-{[(2S,3R,4R,5S,6R)-4-hydroxy-5-{[(2S,3R,4R,5S,6R)-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)-C-hydroxycarbonimidoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(C-hydroxycarbonimidoyl)-4-(C-hydroxycarbonimidoyloxy)-5-methyloxan-2-yl]oxy})phosphoryl]oxy}-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0021795 (Pholipomycin)
Mrv1652307042108013D
197201 0 0 0 0 999 V2000
1.8977 -4.5355 5.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 -3.5355 4.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8603 -2.4938 4.2613 C 0 0 2 0 0 0 0 0 0 0 0 0
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1.1035 -0.4417 5.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1721 -0.9493 6.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7489 0.9141 5.7281 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7202 1.9975 5.7630 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3608 3.3258 5.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 4.2180 6.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 5.5474 6.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1389 3.8871 7.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 -3.5760 3.0887 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3468 -3.6127 1.7070 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3309 -3.7039 0.5969 C 0 0 2 0 0 0 0 0 0 0 0 0
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41149 1 0 0 0 0
41150 1 0 0 0 0
41151 1 0 0 0 0
42152 1 0 0 0 0
43153 1 1 0 0 0
46154 1 0 0 0 0
46155 1 0 0 0 0
48156 1 1 0 0 0
50157 1 1 0 0 0
52158 1 1 0 0 0
53159 1 0 0 0 0
53160 1 0 0 0 0
54161 1 0 0 0 0
55162 1 6 0 0 0
57163 1 6 0 0 0
59164 1 6 0 0 0
60165 1 0 0 0 0
60166 1 0 0 0 0
61167 1 0 0 0 0
62168 1 1 0 0 0
64169 1 1 0 0 0
66170 1 1 0 0 0
69171 1 0 0 0 0
72172 1 0 0 0 0
73173 1 0 0 0 0
73174 1 0 0 0 0
74175 1 0 0 0 0
74176 1 0 0 0 0
77177 1 6 0 0 0
78178 1 0 0 0 0
79179 1 6 0 0 0
80180 1 0 0 0 0
81181 1 1 0 0 0
82182 1 0 0 0 0
83183 1 6 0 0 0
84184 1 0 0 0 0
85185 1 1 0 0 0
86186 1 0 0 0 0
88187 1 0 0 0 0
88188 1 0 0 0 0
88189 1 0 0 0 0
90190 1 1 0 0 0
91191 1 0 0 0 0
92192 1 6 0 0 0
93193 1 0 0 0 0
95194 1 0 0 0 0
95195 1 0 0 0 0
95196 1 0 0 0 0
99197 1 0 0 0 0
M END
3D MOL for NP0021795 (Pholipomycin)
RDKit 3D
197201 0 0 0 0 0 0 0 0999 V2000
1.8977 -4.5355 5.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 -3.5355 4.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8603 -2.4938 4.2613 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4086 -1.1466 4.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 -0.4417 5.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1721 -0.9493 6.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7489 0.9141 5.7281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7202 1.9975 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3608 3.3258 5.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 4.2180 6.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 5.5474 6.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1389 3.8871 7.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 -3.5760 3.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3468 -3.6127 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3309 -3.7039 0.5969 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5216 -3.7282 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0162 -5.0883 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3946 -2.7097 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6989 -2.9547 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7081 -1.8568 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4513 -1.7385 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4213 -0.6131 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3709 -0.6231 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4503 0.3849 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6386 0.5787 -2.9147 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8436 1.7347 -2.9830 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6252 2.8792 -2.8004 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1016 3.6660 -1.5981 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9581 4.1751 -1.6643 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6020 4.8177 -1.5954 P 0 0 2 0 0 5 0 0 0 0 0 0
4.0349 5.2517 -2.9611 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5978 6.2572 -0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 3.8499 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3042 3.6713 -1.7035 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7879 2.6795 -2.5736 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1772 1.4661 -2.5147 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1110 1.3910 -3.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8957 2.4878 -4.3959 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3964 0.3769 -3.6224 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8486 0.9321 -1.1712 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6616 0.0001 -1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 0.1149 -0.7622 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7661 1.9924 -0.0806 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0558 2.2749 0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4333 2.3000 1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7478 2.5810 2.1001 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5050 2.0512 2.4723 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1908 3.2445 -0.8620 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0233 2.7678 -1.4031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0998 3.2153 -0.6736 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3492 2.2490 0.3252 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 2.2437 0.8008 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7430 1.4057 2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9278 1.9444 3.0426 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6149 1.9429 -0.2926 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8068 1.5734 0.2189 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3398 0.3592 -0.2687 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3986 0.7484 -1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4224 -0.0610 -1.2854 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6930 0.2460 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.6901 -0.7018 -0.7987 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1324 -1.5660 -1.1680 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4057 -2.0374 -2.2084 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9417 -2.6776 -3.2546 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5134 -3.9826 -3.4997 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1775 -4.1681 -3.2921 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8129 -5.5838 -3.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5143 -6.0800 -4.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7526 -6.3296 -3.1468 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2752 -7.5669 -3.4792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2440 -8.1883 -2.8799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 -7.6302 -1.8095 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9895 -9.4963 -3.4748 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6367 -9.3773 -4.8541 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7478 -8.4593 -4.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8633 -8.5088 -5.0635 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3750 -3.2663 -4.2244 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0280 -3.2476 -3.7813 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9093 -1.9196 -4.4161 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4064 -1.0626 -3.4235 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4090 -1.8730 -4.4919 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9146 -2.4249 -5.6354 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3907 -1.8469 0.0885 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1193 -2.5816 1.0373 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7511 -0.6315 0.7338 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6386 -1.1458 1.5289 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6346 -1.2382 2.9278 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4604 -1.7559 3.6848 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6383 -0.8790 3.5831 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6182 3.2331 -1.1243 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3301 3.0309 -2.3324 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 3.6307 -1.5303 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1601 5.0762 -1.8265 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 5.5727 -3.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9854 7.0196 -3.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 4.7849 -4.1023 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5524 3.7385 -4.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8887 3.4217 -5.0502 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2243 4.9388 -4.0359 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1433 -4.5488 5.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 -5.3311 5.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1437 -2.7877 5.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2151 -2.4517 3.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.7302 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1848 -0.0554 7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6904 -1.5916 7.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -1.4209 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5441 1.0739 5.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 0.9111 6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0245 1.8785 6.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 1.9181 4.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1112 3.6421 5.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 6.1520 7.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8770 5.5026 6.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 6.1602 5.9463 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8711 3.8710 7.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1717 4.6864 8.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3003 2.9025 8.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5067 -2.6206 3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6570 -4.3812 3.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 -4.5661 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6474 -2.7879 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 -4.1158 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9907 -4.3979 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 -2.7063 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8302 -5.1164 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2623 -5.8797 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4366 -5.2302 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 -1.6733 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 -3.9762 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2654 -0.8842 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4534 -2.1188 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7675 -1.5990 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0415 -2.6553 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8173 -0.6410 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0714 -1.4652 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 0.2967 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2184 1.1727 -1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0230 -0.2522 -3.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 0.7151 -3.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6531 2.5982 -2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2338 2.9372 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9061 4.4610 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1854 6.9958 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1726 4.5676 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 0.7455 -2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 3.2070 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 2.5497 -5.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5830 -0.3588 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2748 0.4607 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 -0.9044 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 0.0643 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0448 1.7837 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2128 3.4823 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2907 1.9788 2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9757 3.9229 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 4.0749 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9075 3.2961 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3599 0.3637 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7749 1.4422 2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 2.8740 2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1537 1.1996 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5589 -0.0055 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7193 0.0397 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1750 1.2231 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5496 0.3490 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7849 -0.9124 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1539 -1.9881 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0268 -2.7074 -3.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8147 -4.0076 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2681 -5.8152 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 -8.0120 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -9.7784 -3.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4939 -10.3548 -2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9492 -10.3409 -5.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9292 -8.9340 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4161 -3.7955 -5.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4904 -3.1706 -4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5680 -1.5113 -5.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4277 -1.0238 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7743 -0.8471 -4.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1313 -2.7456 -6.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4883 -2.5332 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7144 -3.4600 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4843 -0.2706 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7969 -1.4727 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7260 -0.9376 3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 -2.5540 3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 -2.2009 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0466 4.0200 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7288 2.5110 -2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9949 3.1772 -2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1994 5.7347 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 7.2721 -3.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 7.6295 -2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8121 7.3816 -4.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8341 5.6769 -3.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
5 6 1 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 3
10 11 1 0
10 12 1 0
2 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
15 17 1 0
15 18 1 6
18 19 2 0
19 20 1 0
20 21 1 0
21 22 1 0
22 23 1 0
22 24 2 0
24 25 1 0
25 26 1 0
26 27 1 0
27 28 1 0
28 29 1 0
30 29 1 6
30 31 2 0
30 32 1 0
30 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
36 37 1 0
37 38 1 0
37 39 2 0
36 40 1 0
40 41 1 0
40 42 1 1
40 43 1 0
43 44 1 0
44 45 1 0
45 46 1 0
45 47 2 0
43 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
51 52 1 0
52 53 1 0
53 54 1 0
52 55 1 0
55 56 1 0
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
60 61 1 0
59 62 1 0
62 63 1 0
63 64 1 0
64 65 1 0
65 66 1 0
66 67 1 0
67 68 2 0
67 69 1 0
69 70 1 0
70 71 2 0
71 72 1 0
71 73 1 0
73 74 1 0
74 75 1 0
75 76 2 0
66 77 1 0
77 78 1 0
77 79 1 0
79 80 1 0
79 81 1 0
81 82 1 0
62 83 1 0
83 84 1 0
83 85 1 0
85 86 1 0
86 87 1 0
87 88 1 0
87 89 2 0
55 90 1 0
90 91 1 0
90 92 1 0
92 93 1 0
93 94 1 0
94 95 1 0
94 96 2 0
27 97 1 0
97 98 2 0
97 99 1 0
48 34 1 0
92 50 1 0
85 57 1 0
81 64 1 0
75 70 1 0
1100 1 0
1101 1 0
3102 1 0
3103 1 0
4104 1 0
6105 1 0
6106 1 0
6107 1 0
7108 1 0
7109 1 0
8110 1 0
8111 1 0
9112 1 0
11113 1 0
11114 1 0
11115 1 0
12116 1 0
12117 1 0
12118 1 0
13119 1 0
13120 1 0
14121 1 0
14122 1 0
16123 1 0
16124 1 0
16125 1 0
17126 1 0
17127 1 0
17128 1 0
18129 1 0
19130 1 0
20131 1 0
20132 1 0
21133 1 0
21134 1 0
23135 1 0
23136 1 0
23137 1 0
24138 1 0
25139 1 0
25140 1 0
27141 1 1
28142 1 0
28143 1 0
32144 1 0
34145 1 6
36146 1 6
38147 1 0
38148 1 0
41149 1 0
41150 1 0
41151 1 0
42152 1 0
43153 1 1
46154 1 0
46155 1 0
48156 1 1
50157 1 1
52158 1 1
53159 1 0
53160 1 0
54161 1 0
55162 1 6
57163 1 6
59164 1 6
60165 1 0
60166 1 0
61167 1 0
62168 1 1
64169 1 1
66170 1 1
69171 1 0
72172 1 0
73173 1 0
73174 1 0
74175 1 0
74176 1 0
77177 1 6
78178 1 0
79179 1 6
80180 1 0
81181 1 1
82182 1 0
83183 1 6
84184 1 0
85185 1 1
86186 1 0
88187 1 0
88188 1 0
88189 1 0
90190 1 1
91191 1 0
92192 1 6
93193 1 0
95194 1 0
95195 1 0
95196 1 0
99197 1 0
M END
3D SDF for NP0021795 (Pholipomycin)
Mrv1652307042108013D
197201 0 0 0 0 999 V2000
1.8977 -4.5355 5.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8921 -3.5355 4.1443 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8603 -2.4938 4.2613 C 0 0 2 0 0 0 0 0 0 0 0 0
1.4086 -1.1466 4.5258 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1035 -0.4417 5.6005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1721 -0.9493 6.6399 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7489 0.9141 5.7281 C 0 0 2 0 0 0 0 0 0 0 0 0
0.7202 1.9975 5.7630 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3608 3.3258 5.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 4.2180 6.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 5.5474 6.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1389 3.8871 7.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 -3.5760 3.0887 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3468 -3.6127 1.7070 C 0 0 1 0 0 0 0 0 0 0 0 0
3.3309 -3.7039 0.5969 C 0 0 2 0 0 0 0 0 0 0 0 0
2.5216 -3.7282 -0.7121 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0162 -5.0883 0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3946 -2.7097 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6989 -2.9547 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7081 -1.8568 0.2660 C 0 0 1 0 0 0 0 0 0 0 0 0
7.4513 -1.7385 -1.0523 C 0 0 2 0 0 0 0 0 0 0 0 0
8.4213 -0.6131 -0.8782 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3709 -0.6231 0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4503 0.3849 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6386 0.5787 -2.9147 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8436 1.7347 -2.9830 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6252 2.8792 -2.8004 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1016 3.6660 -1.5981 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9581 4.1751 -1.6643 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6020 4.8177 -1.5954 P 0 0 2 0 0 5 0 0 0 0 0 0
4.0349 5.2517 -2.9611 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5978 6.2572 -0.6051 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3991 3.8499 -0.8182 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3042 3.6713 -1.7035 C 0 0 1 0 0 0 0 0 0 0 0 0
2.7879 2.6795 -2.5736 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1772 1.4661 -2.5147 C 0 0 2 0 0 0 0 0 0 0 0 0
1.1110 1.3910 -3.5216 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8957 2.4878 -4.3959 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3964 0.3769 -3.6224 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8486 0.9321 -1.1712 C 0 0 1 0 0 0 0 0 0 0 0 0
0.6616 0.0001 -1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9377 0.1149 -0.7622 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7661 1.9924 -0.0806 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0558 2.2749 0.3319 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4333 2.3000 1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7478 2.5810 2.1001 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5050 2.0512 2.4723 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1908 3.2445 -0.8620 C 0 0 2 0 0 0 0 0 0 0 0 0
0.0233 2.7678 -1.4031 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0998 3.2153 -0.6736 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.3492 2.2490 0.3252 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6306 2.2437 0.8008 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7430 1.4057 2.0262 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9278 1.9444 3.0426 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6149 1.9429 -0.2926 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8068 1.5734 0.2189 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3398 0.3592 -0.2687 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.3986 0.7484 -1.0665 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4224 -0.0610 -1.2854 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.6930 0.2460 -0.5305 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.6901 -0.7018 -0.7987 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.1324 -1.5660 -1.1680 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4057 -2.0374 -2.2084 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.9417 -2.6776 -3.2546 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.5134 -3.9826 -3.4997 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1775 -4.1681 -3.2921 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.8129 -5.5838 -3.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5143 -6.0800 -4.6082 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7526 -6.3296 -3.1468 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2752 -7.5669 -3.4792 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2440 -8.1883 -2.8799 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5077 -7.6302 -1.8095 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9895 -9.4963 -3.4748 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6367 -9.3773 -4.8541 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7478 -8.4593 -4.5134 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8633 -8.5088 -5.0635 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3750 -3.2663 -4.2244 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.0280 -3.2476 -3.7813 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9093 -1.9196 -4.4161 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4064 -1.0626 -3.4235 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.4090 -1.8730 -4.4919 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.9146 -2.4249 -5.6354 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3907 -1.8469 0.0885 C 0 0 2 0 0 0 0 0 0 0 0 0
-7.1193 -2.5816 1.0373 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7511 -0.6315 0.7338 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.6386 -1.1458 1.5289 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.6346 -1.2382 2.9278 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4604 -1.7559 3.6848 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6383 -0.8790 3.5831 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6182 3.2331 -1.1243 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.3301 3.0309 -2.3324 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2106 3.6307 -1.5303 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1601 5.0762 -1.8265 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 5.5727 -3.1253 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9854 7.0196 -3.3918 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0053 4.7849 -4.1023 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5524 3.7385 -4.0123 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8887 3.4217 -5.0502 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2243 4.9388 -4.0359 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1433 -4.5488 5.7916 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6253 -5.3311 5.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1437 -2.7877 5.0561 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2151 -2.4517 3.3257 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.7302 3.8000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1848 -0.0554 7.2080 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6904 -1.5916 7.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7371 -1.4209 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5441 1.0739 5.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 0.9111 6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0245 1.8785 6.6279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 1.9181 4.8478 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1112 3.6421 5.0953 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4945 6.1520 7.7218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8770 5.5026 6.7909 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4657 6.1602 5.9463 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8711 3.8710 7.3684 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1717 4.6864 8.6410 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3003 2.9025 8.3541 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5067 -2.6206 3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6570 -4.3812 3.2753 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7313 -4.5661 1.6961 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6474 -2.7879 1.5339 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4991 -4.1158 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9907 -4.3979 -1.4445 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4036 -2.7063 -1.1224 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8302 -5.1164 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2623 -5.8797 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4366 -5.2302 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 -1.6733 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 -3.9762 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2654 -0.8842 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4534 -2.1188 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7675 -1.5990 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0415 -2.6553 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8173 -0.6410 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0714 -1.4652 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 0.2967 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2184 1.1727 -1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0230 -0.2522 -3.2528 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 0.7151 -3.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6531 2.5982 -2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2338 2.9372 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9061 4.4610 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1854 6.9958 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1726 4.5676 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 0.7455 -2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 3.2070 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5324 2.5497 -5.2459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5830 -0.3588 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2748 0.4607 -1.4189 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9158 -0.9044 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8191 0.0643 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0448 1.7837 0.7035 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2128 3.4823 1.7646 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2907 1.9788 2.7172 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9757 3.9229 -0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7110 4.0749 -0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9075 3.2961 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3599 0.3637 1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7749 1.4422 2.3854 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7033 2.8740 2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1537 1.1996 -0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5589 -0.0055 -0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7193 0.0397 -2.3749 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.1750 1.2231 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5496 0.3490 0.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.7849 -0.9124 -1.7455 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1539 -1.9881 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.0268 -2.7074 -3.3796 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8147 -4.0076 -2.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2681 -5.8152 -2.3069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5924 -8.0120 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9262 -9.7784 -3.5576 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4939 -10.3548 -2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9492 -10.3409 -5.2504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9292 -8.9340 -5.5850 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4161 -3.7955 -5.2213 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4904 -3.1706 -4.6076 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5680 -1.5113 -5.4194 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4277 -1.0238 -3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7743 -0.8471 -4.3523 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.1313 -2.7456 -6.1846 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.4883 -2.5332 -0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7144 -3.4600 1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4843 -0.2706 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7969 -1.4727 1.0072 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7260 -0.9376 3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9522 -2.5540 3.0979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7972 -2.2009 4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0466 4.0200 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7288 2.5110 -2.9639 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9949 3.1772 -2.5614 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1994 5.7347 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0546 7.2721 -3.9908 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0360 7.6295 -2.4719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8121 7.3816 -4.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8341 5.6769 -3.4412 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 3 0 0 0
10 11 1 0 0 0 0
10 12 1 0 0 0 0
2 13 1 0 0 0 0
13 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
15 18 1 6 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 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 1 0 0 0 0
30 29 1 6 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
30 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
37 39 2 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 1 0 0 0
40 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
45 47 2 0 0 0 0
43 48 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
52 53 1 0 0 0 0
53 54 1 0 0 0 0
52 55 1 0 0 0 0
55 56 1 0 0 0 0
56 57 1 0 0 0 0
57 58 1 0 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
59 62 1 0 0 0 0
62 63 1 0 0 0 0
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
67 68 2 0 0 0 0
67 69 1 0 0 0 0
69 70 1 0 0 0 0
70 71 2 0 0 0 0
71 72 1 0 0 0 0
71 73 1 0 0 0 0
73 74 1 0 0 0 0
74 75 1 0 0 0 0
75 76 2 0 0 0 0
66 77 1 0 0 0 0
77 78 1 0 0 0 0
77 79 1 0 0 0 0
79 80 1 0 0 0 0
79 81 1 0 0 0 0
81 82 1 0 0 0 0
62 83 1 0 0 0 0
83 84 1 0 0 0 0
83 85 1 0 0 0 0
85 86 1 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
87 89 2 0 0 0 0
55 90 1 0 0 0 0
90 91 1 0 0 0 0
90 92 1 0 0 0 0
92 93 1 0 0 0 0
93 94 1 0 0 0 0
94 95 1 0 0 0 0
94 96 2 0 0 0 0
27 97 1 0 0 0 0
97 98 2 0 0 0 0
97 99 1 0 0 0 0
48 34 1 0 0 0 0
92 50 1 0 0 0 0
85 57 1 0 0 0 0
81 64 1 0 0 0 0
75 70 1 0 0 0 0
1100 1 0 0 0 0
1101 1 0 0 0 0
3102 1 0 0 0 0
3103 1 0 0 0 0
4104 1 0 0 0 0
6105 1 0 0 0 0
6106 1 0 0 0 0
6107 1 0 0 0 0
7108 1 0 0 0 0
7109 1 0 0 0 0
8110 1 0 0 0 0
8111 1 0 0 0 0
9112 1 0 0 0 0
11113 1 0 0 0 0
11114 1 0 0 0 0
11115 1 0 0 0 0
12116 1 0 0 0 0
12117 1 0 0 0 0
12118 1 0 0 0 0
13119 1 0 0 0 0
13120 1 0 0 0 0
14121 1 0 0 0 0
14122 1 0 0 0 0
16123 1 0 0 0 0
16124 1 0 0 0 0
16125 1 0 0 0 0
17126 1 0 0 0 0
17127 1 0 0 0 0
17128 1 0 0 0 0
18129 1 0 0 0 0
19130 1 0 0 0 0
20131 1 0 0 0 0
20132 1 0 0 0 0
21133 1 0 0 0 0
21134 1 0 0 0 0
23135 1 0 0 0 0
23136 1 0 0 0 0
23137 1 0 0 0 0
24138 1 0 0 0 0
25139 1 0 0 0 0
25140 1 0 0 0 0
27141 1 1 0 0 0
28142 1 0 0 0 0
28143 1 0 0 0 0
32144 1 0 0 0 0
34145 1 6 0 0 0
36146 1 6 0 0 0
38147 1 0 0 0 0
38148 1 0 0 0 0
41149 1 0 0 0 0
41150 1 0 0 0 0
41151 1 0 0 0 0
42152 1 0 0 0 0
43153 1 1 0 0 0
46154 1 0 0 0 0
46155 1 0 0 0 0
48156 1 1 0 0 0
50157 1 1 0 0 0
52158 1 1 0 0 0
53159 1 0 0 0 0
53160 1 0 0 0 0
54161 1 0 0 0 0
55162 1 6 0 0 0
57163 1 6 0 0 0
59164 1 6 0 0 0
60165 1 0 0 0 0
60166 1 0 0 0 0
61167 1 0 0 0 0
62168 1 1 0 0 0
64169 1 1 0 0 0
66170 1 1 0 0 0
69171 1 0 0 0 0
72172 1 0 0 0 0
73173 1 0 0 0 0
73174 1 0 0 0 0
74175 1 0 0 0 0
74176 1 0 0 0 0
77177 1 6 0 0 0
78178 1 0 0 0 0
79179 1 6 0 0 0
80180 1 0 0 0 0
81181 1 1 0 0 0
82182 1 0 0 0 0
83183 1 6 0 0 0
84184 1 0 0 0 0
85185 1 1 0 0 0
86186 1 0 0 0 0
88187 1 0 0 0 0
88188 1 0 0 0 0
88189 1 0 0 0 0
90190 1 1 0 0 0
91191 1 0 0 0 0
92192 1 6 0 0 0
93193 1 0 0 0 0
95194 1 0 0 0 0
95195 1 0 0 0 0
95196 1 0 0 0 0
99197 1 0 0 0 0
M END
> <DATABASE_ID>
NP0021795
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)[C@]([H])(OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])O[C@@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@](O[H])(C([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])[C@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]3([H])O[C@@]([H])(C(=O)N([H])C4=C(O[H])C([H])([H])C([H])([H])C4=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H]
> <INCHI_IDENTIFIER>
InChI=1S/C63H98N5O30P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-62(8,9)23-12-11-15-31(4)22-25-88-39(56(82)83)28-89-99(86,87)98-60-51(52(97-61(65)84)63(10,85)53(96-60)54(64)80)95-58-42(67-34(7)72)43(75)48(37(26-69)91-58)92-57-41(66-33(6)71)44(76)49(38(27-70)90-57)93-59-47(79)45(77)46(78)50(94-59)55(81)68-40-35(73)19-20-36(40)74/h12,14,17,22-23,37-39,41-53,57-60,69-70,73,75-79,85H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,64,80)(H2,65,84)(H,66,71)(H,67,72)(H,68,81)(H,82,83)(H,86,87)/b23-12+,30-17+,31-22-/t37-,38-,39-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,57+,58+,59-,60-,63+/m1/s1
> <INCHI_KEY>
XYJIXNBDVDMTFA-QGROGYFUSA-N
> <FORMULA>
C63H98N5O30P
> <MOLECULAR_WEIGHT>
1436.456
> <EXACT_MASS>
1435.603423774
> <JCHEM_ACCEPTOR_COUNT>
27
> <JCHEM_ATOM_COUNT>
197
> <JCHEM_AVERAGE_POLARIZABILITY>
143.40507923539445
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
16
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R)-3-[({[(2R,3S,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid
> <ALOGPS_LOGP>
1.60
> <JCHEM_LOGP>
-1.6437731610000024
> <ALOGPS_LOGS>
-4.49
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
5
> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2
> <JCHEM_PKA>
3.5668317760726604
> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5819303469485027
> <JCHEM_PKA_STRONGEST_BASIC>
-3.7813316280169085
> <JCHEM_POLAR_SURFACE_AREA>
548.75
> <JCHEM_REFRACTIVITY>
342.2257
> <JCHEM_ROTATABLE_BOND_COUNT>
36
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
4.68e-02 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-({[(2R,3S,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy(hydroxy)phosphoryl}oxy)-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0021795 (Pholipomycin)
RDKit 3D
197201 0 0 0 0 0 0 0 0999 V2000
1.8977 -4.5355 5.0313 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3608 3.3258 5.8537 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1089 4.2180 6.8098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 5.5474 6.8477 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1389 3.8871 7.8655 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9505 -3.5760 3.0887 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.5441 1.0739 5.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2682 0.9111 6.7334 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.8302 -5.1164 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2623 -5.8797 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4366 -5.2302 -0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 -1.6733 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9497 -3.9762 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2654 -0.8842 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4534 -2.1188 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7675 -1.5990 -1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0415 -2.6553 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8173 -0.6410 1.2379 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0714 -1.4652 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9892 0.2967 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2184 1.1727 -1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.3884 0.7151 -3.7804 H 0 0 0 0 0 0 0 0 0 0 0 0
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7.2338 2.9372 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9061 4.4610 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1854 6.9958 -1.0971 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1726 4.5676 -2.3159 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9773 0.7455 -2.9495 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1870 3.2070 -4.2660 H 0 0 0 0 0 0 0 0 0 0 0 0
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99197 1 0
M END
PDB for NP0021795 (Pholipomycin)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 1.898 -4.535 5.031 0.00 0.00 C+0 HETATM 2 C UNK 0 1.892 -3.535 4.144 0.00 0.00 C+0 HETATM 3 C UNK 0 0.860 -2.494 4.261 0.00 0.00 C+0 HETATM 4 C UNK 0 1.409 -1.147 4.526 0.00 0.00 C+0 HETATM 5 C UNK 0 1.103 -0.442 5.601 0.00 0.00 C+0 HETATM 6 C UNK 0 0.172 -0.949 6.640 0.00 0.00 C+0 HETATM 7 C UNK 0 1.749 0.914 5.728 0.00 0.00 C+0 HETATM 8 C UNK 0 0.720 1.998 5.763 0.00 0.00 C+0 HETATM 9 C UNK 0 1.361 3.326 5.854 0.00 0.00 C+0 HETATM 10 C UNK 0 1.109 4.218 6.810 0.00 0.00 C+0 HETATM 11 C UNK 0 1.789 5.547 6.848 0.00 0.00 C+0 HETATM 12 C UNK 0 0.139 3.887 7.865 0.00 0.00 C+0 HETATM 13 C UNK 0 2.950 -3.576 3.089 0.00 0.00 C+0 HETATM 14 C UNK 0 2.347 -3.613 1.707 0.00 0.00 C+0 HETATM 15 C UNK 0 3.331 -3.704 0.597 0.00 0.00 C+0 HETATM 16 C UNK 0 2.522 -3.728 -0.712 0.00 0.00 C+0 HETATM 17 C UNK 0 4.016 -5.088 0.622 0.00 0.00 C+0 HETATM 18 C UNK 0 4.395 -2.710 0.558 0.00 0.00 C+0 HETATM 19 C UNK 0 5.699 -2.955 0.279 0.00 0.00 C+0 HETATM 20 C UNK 0 6.708 -1.857 0.266 0.00 0.00 C+0 HETATM 21 C UNK 0 7.451 -1.738 -1.052 0.00 0.00 C+0 HETATM 22 C UNK 0 8.421 -0.613 -0.878 0.00 0.00 C+0 HETATM 23 C UNK 0 9.371 -0.623 0.283 0.00 0.00 C+0 HETATM 24 C UNK 0 8.450 0.385 -1.735 0.00 0.00 C+0 HETATM 25 C UNK 0 7.639 0.579 -2.915 0.00 0.00 C+0 HETATM 26 O UNK 0 6.844 1.735 -2.983 0.00 0.00 O+0 HETATM 27 C UNK 0 7.625 2.879 -2.800 0.00 0.00 C+0 HETATM 28 C UNK 0 7.102 3.666 -1.598 0.00 0.00 C+0 HETATM 29 O UNK 0 5.958 4.175 -1.664 0.00 0.00 O+0 HETATM 30 P UNK 0 4.602 4.818 -1.595 0.00 0.00 P+0 HETATM 31 O UNK 0 4.035 5.252 -2.961 0.00 0.00 O+0 HETATM 32 O UNK 0 4.598 6.257 -0.605 0.00 0.00 O+0 HETATM 33 O UNK 0 3.399 3.850 -0.818 0.00 0.00 O+0 HETATM 34 C UNK 0 2.304 3.671 -1.704 0.00 0.00 C+0 HETATM 35 O UNK 0 2.788 2.680 -2.574 0.00 0.00 O+0 HETATM 36 C UNK 0 2.177 1.466 -2.515 0.00 0.00 C+0 HETATM 37 C UNK 0 1.111 1.391 -3.522 0.00 0.00 C+0 HETATM 38 N UNK 0 0.896 2.488 -4.396 0.00 0.00 N+0 HETATM 39 O UNK 0 0.396 0.377 -3.622 0.00 0.00 O+0 HETATM 40 C UNK 0 1.849 0.932 -1.171 0.00 0.00 C+0 HETATM 41 C UNK 0 0.662 0.000 -1.160 0.00 0.00 C+0 HETATM 42 O UNK 0 2.938 0.115 -0.762 0.00 0.00 O+0 HETATM 43 C UNK 0 1.766 1.992 -0.081 0.00 0.00 C+0 HETATM 44 O UNK 0 3.056 2.275 0.332 0.00 0.00 O+0 HETATM 45 C UNK 0 3.433 2.300 1.662 0.00 0.00 C+0 HETATM 46 N UNK 0 4.748 2.581 2.100 0.00 0.00 N+0 HETATM 47 O UNK 0 2.505 2.051 2.472 0.00 0.00 O+0 HETATM 48 C UNK 0 1.191 3.244 -0.862 0.00 0.00 C+0 HETATM 49 O UNK 0 0.023 2.768 -1.403 0.00 0.00 O+0 HETATM 50 C UNK 0 -1.100 3.215 -0.674 0.00 0.00 C+0 HETATM 51 O UNK 0 -1.349 2.249 0.325 0.00 0.00 O+0 HETATM 52 C UNK 0 -2.631 2.244 0.801 0.00 0.00 C+0 HETATM 53 C UNK 0 -2.743 1.406 2.026 0.00 0.00 C+0 HETATM 54 O UNK 0 -1.928 1.944 3.043 0.00 0.00 O+0 HETATM 55 C UNK 0 -3.615 1.943 -0.293 0.00 0.00 C+0 HETATM 56 O UNK 0 -4.807 1.573 0.219 0.00 0.00 O+0 HETATM 57 C UNK 0 -5.340 0.359 -0.269 0.00 0.00 C+0 HETATM 58 O UNK 0 -6.399 0.748 -1.067 0.00 0.00 O+0 HETATM 59 C UNK 0 -7.422 -0.061 -1.285 0.00 0.00 C+0 HETATM 60 C UNK 0 -8.693 0.246 -0.531 0.00 0.00 C+0 HETATM 61 O UNK 0 -9.690 -0.702 -0.799 0.00 0.00 O+0 HETATM 62 C UNK 0 -7.132 -1.566 -1.168 0.00 0.00 C+0 HETATM 63 O UNK 0 -6.406 -2.037 -2.208 0.00 0.00 O+0 HETATM 64 C UNK 0 -6.942 -2.678 -3.255 0.00 0.00 C+0 HETATM 65 O UNK 0 -6.513 -3.983 -3.500 0.00 0.00 O+0 HETATM 66 C UNK 0 -5.178 -4.168 -3.292 0.00 0.00 C+0 HETATM 67 C UNK 0 -4.813 -5.584 -3.709 0.00 0.00 C+0 HETATM 68 O UNK 0 -5.514 -6.080 -4.608 0.00 0.00 O+0 HETATM 69 N UNK 0 -3.753 -6.330 -3.147 0.00 0.00 N+0 HETATM 70 C UNK 0 -3.275 -7.567 -3.479 0.00 0.00 C+0 HETATM 71 C UNK 0 -2.244 -8.188 -2.880 0.00 0.00 C+0 HETATM 72 O UNK 0 -1.508 -7.630 -1.810 0.00 0.00 O+0 HETATM 73 C UNK 0 -1.990 -9.496 -3.475 0.00 0.00 C+0 HETATM 74 C UNK 0 -2.637 -9.377 -4.854 0.00 0.00 C+0 HETATM 75 C UNK 0 -3.748 -8.459 -4.513 0.00 0.00 C+0 HETATM 76 O UNK 0 -4.863 -8.509 -5.064 0.00 0.00 O+0 HETATM 77 C UNK 0 -4.375 -3.266 -4.224 0.00 0.00 C+0 HETATM 78 O UNK 0 -3.028 -3.248 -3.781 0.00 0.00 O+0 HETATM 79 C UNK 0 -4.909 -1.920 -4.416 0.00 0.00 C+0 HETATM 80 O UNK 0 -4.406 -1.063 -3.424 0.00 0.00 O+0 HETATM 81 C UNK 0 -6.409 -1.873 -4.492 0.00 0.00 C+0 HETATM 82 O UNK 0 -6.915 -2.425 -5.635 0.00 0.00 O+0 HETATM 83 C UNK 0 -6.391 -1.847 0.089 0.00 0.00 C+0 HETATM 84 O UNK 0 -7.119 -2.582 1.037 0.00 0.00 O+0 HETATM 85 C UNK 0 -5.751 -0.632 0.734 0.00 0.00 C+0 HETATM 86 N UNK 0 -4.639 -1.146 1.529 0.00 0.00 N+0 HETATM 87 C UNK 0 -4.635 -1.238 2.928 0.00 0.00 C+0 HETATM 88 C UNK 0 -3.460 -1.756 3.685 0.00 0.00 C+0 HETATM 89 O UNK 0 -5.638 -0.879 3.583 0.00 0.00 O+0 HETATM 90 C UNK 0 -3.618 3.233 -1.124 0.00 0.00 C+0 HETATM 91 O UNK 0 -4.330 3.031 -2.332 0.00 0.00 O+0 HETATM 92 C UNK 0 -2.211 3.631 -1.530 0.00 0.00 C+0 HETATM 93 N UNK 0 -2.160 5.076 -1.827 0.00 0.00 N+0 HETATM 94 C UNK 0 -2.052 5.573 -3.125 0.00 0.00 C+0 HETATM 95 C UNK 0 -1.985 7.020 -3.392 0.00 0.00 C+0 HETATM 96 O UNK 0 -2.005 4.785 -4.102 0.00 0.00 O+0 HETATM 97 C UNK 0 7.552 3.739 -4.012 0.00 0.00 C+0 HETATM 98 O UNK 0 6.889 3.422 -5.050 0.00 0.00 O+0 HETATM 99 O UNK 0 8.224 4.939 -4.036 0.00 0.00 O+0 HETATM 100 H UNK 0 1.143 -4.549 5.792 0.00 0.00 H+0 HETATM 101 H UNK 0 2.625 -5.331 5.007 0.00 0.00 H+0 HETATM 102 H UNK 0 0.144 -2.788 5.056 0.00 0.00 H+0 HETATM 103 H UNK 0 0.215 -2.452 3.326 0.00 0.00 H+0 HETATM 104 H UNK 0 2.083 -0.730 3.800 0.00 0.00 H+0 HETATM 105 H UNK 0 -0.185 -0.055 7.208 0.00 0.00 H+0 HETATM 106 H UNK 0 0.690 -1.592 7.388 0.00 0.00 H+0 HETATM 107 H UNK 0 -0.737 -1.421 6.226 0.00 0.00 H+0 HETATM 108 H UNK 0 2.544 1.074 5.000 0.00 0.00 H+0 HETATM 109 H UNK 0 2.268 0.911 6.733 0.00 0.00 H+0 HETATM 110 H UNK 0 0.025 1.879 6.628 0.00 0.00 H+0 HETATM 111 H UNK 0 0.084 1.918 4.848 0.00 0.00 H+0 HETATM 112 H UNK 0 2.111 3.642 5.095 0.00 0.00 H+0 HETATM 113 H UNK 0 1.494 6.152 7.722 0.00 0.00 H+0 HETATM 114 H UNK 0 2.877 5.503 6.791 0.00 0.00 H+0 HETATM 115 H UNK 0 1.466 6.160 5.946 0.00 0.00 H+0 HETATM 116 H UNK 0 -0.871 3.871 7.368 0.00 0.00 H+0 HETATM 117 H UNK 0 0.172 4.686 8.641 0.00 0.00 H+0 HETATM 118 H UNK 0 0.300 2.902 8.354 0.00 0.00 H+0 HETATM 119 H UNK 0 3.507 -2.621 3.166 0.00 0.00 H+0 HETATM 120 H UNK 0 3.657 -4.381 3.275 0.00 0.00 H+0 HETATM 121 H UNK 0 1.731 -4.566 1.696 0.00 0.00 H+0 HETATM 122 H UNK 0 1.647 -2.788 1.534 0.00 0.00 H+0 HETATM 123 H UNK 0 1.499 -4.116 -0.477 0.00 0.00 H+0 HETATM 124 H UNK 0 2.991 -4.398 -1.444 0.00 0.00 H+0 HETATM 125 H UNK 0 2.404 -2.706 -1.122 0.00 0.00 H+0 HETATM 126 H UNK 0 4.830 -5.116 1.344 0.00 0.00 H+0 HETATM 127 H UNK 0 3.262 -5.880 0.754 0.00 0.00 H+0 HETATM 128 H UNK 0 4.437 -5.230 -0.393 0.00 0.00 H+0 HETATM 129 H UNK 0 4.187 -1.673 0.780 0.00 0.00 H+0 HETATM 130 H UNK 0 5.950 -3.976 0.065 0.00 0.00 H+0 HETATM 131 H UNK 0 6.265 -0.884 0.480 0.00 0.00 H+0 HETATM 132 H UNK 0 7.453 -2.119 1.038 0.00 0.00 H+0 HETATM 133 H UNK 0 6.768 -1.599 -1.890 0.00 0.00 H+0 HETATM 134 H UNK 0 8.041 -2.655 -1.191 0.00 0.00 H+0 HETATM 135 H UNK 0 8.817 -0.641 1.238 0.00 0.00 H+0 HETATM 136 H UNK 0 10.071 -1.465 0.226 0.00 0.00 H+0 HETATM 137 H UNK 0 9.989 0.297 0.225 0.00 0.00 H+0 HETATM 138 H UNK 0 9.218 1.173 -1.456 0.00 0.00 H+0 HETATM 139 H UNK 0 7.023 -0.252 -3.253 0.00 0.00 H+0 HETATM 140 H UNK 0 8.388 0.715 -3.780 0.00 0.00 H+0 HETATM 141 H UNK 0 8.653 2.598 -2.634 0.00 0.00 H+0 HETATM 142 H UNK 0 7.234 2.937 -0.735 0.00 0.00 H+0 HETATM 143 H UNK 0 7.906 4.461 -1.378 0.00 0.00 H+0 HETATM 144 H UNK 0 4.185 6.996 -1.097 0.00 0.00 H+0 HETATM 145 H UNK 0 2.173 4.568 -2.316 0.00 0.00 H+0 HETATM 146 H UNK 0 2.977 0.746 -2.950 0.00 0.00 H+0 HETATM 147 H UNK 0 0.187 3.207 -4.266 0.00 0.00 H+0 HETATM 148 H UNK 0 1.532 2.550 -5.246 0.00 0.00 H+0 HETATM 149 H UNK 0 0.583 -0.359 -0.100 0.00 0.00 H+0 HETATM 150 H UNK 0 -0.275 0.461 -1.419 0.00 0.00 H+0 HETATM 151 H UNK 0 0.916 -0.904 -1.746 0.00 0.00 H+0 HETATM 152 H UNK 0 2.819 0.064 0.233 0.00 0.00 H+0 HETATM 153 H UNK 0 1.045 1.784 0.704 0.00 0.00 H+0 HETATM 154 H UNK 0 5.213 3.482 1.765 0.00 0.00 H+0 HETATM 155 H UNK 0 5.291 1.979 2.717 0.00 0.00 H+0 HETATM 156 H UNK 0 0.976 3.923 -0.028 0.00 0.00 H+0 HETATM 157 H UNK 0 -0.711 4.075 -0.038 0.00 0.00 H+0 HETATM 158 H UNK 0 -2.908 3.296 1.153 0.00 0.00 H+0 HETATM 159 H UNK 0 -2.360 0.364 1.901 0.00 0.00 H+0 HETATM 160 H UNK 0 -3.775 1.442 2.385 0.00 0.00 H+0 HETATM 161 H UNK 0 -1.703 2.874 2.775 0.00 0.00 H+0 HETATM 162 H UNK 0 -3.154 1.200 -0.987 0.00 0.00 H+0 HETATM 163 H UNK 0 -4.559 -0.006 -0.971 0.00 0.00 H+0 HETATM 164 H UNK 0 -7.719 0.040 -2.375 0.00 0.00 H+0 HETATM 165 H UNK 0 -9.175 1.223 -0.841 0.00 0.00 H+0 HETATM 166 H UNK 0 -8.550 0.349 0.564 0.00 0.00 H+0 HETATM 167 H UNK 0 -9.785 -0.912 -1.746 0.00 0.00 H+0 HETATM 168 H UNK 0 -8.154 -1.988 -1.168 0.00 0.00 H+0 HETATM 169 H UNK 0 -8.027 -2.707 -3.380 0.00 0.00 H+0 HETATM 170 H UNK 0 -4.815 -4.008 -2.270 0.00 0.00 H+0 HETATM 171 H UNK 0 -3.268 -5.815 -2.307 0.00 0.00 H+0 HETATM 172 H UNK 0 -1.592 -8.012 -0.879 0.00 0.00 H+0 HETATM 173 H UNK 0 -0.926 -9.778 -3.558 0.00 0.00 H+0 HETATM 174 H UNK 0 -2.494 -10.355 -2.978 0.00 0.00 H+0 HETATM 175 H UNK 0 -2.949 -10.341 -5.250 0.00 0.00 H+0 HETATM 176 H UNK 0 -1.929 -8.934 -5.585 0.00 0.00 H+0 HETATM 177 H UNK 0 -4.416 -3.796 -5.221 0.00 0.00 H+0 HETATM 178 H UNK 0 -2.490 -3.171 -4.608 0.00 0.00 H+0 HETATM 179 H UNK 0 -4.568 -1.511 -5.419 0.00 0.00 H+0 HETATM 180 H UNK 0 -3.428 -1.024 -3.574 0.00 0.00 H+0 HETATM 181 H UNK 0 -6.774 -0.847 -4.352 0.00 0.00 H+0 HETATM 182 H UNK 0 -6.131 -2.746 -6.185 0.00 0.00 H+0 HETATM 183 H UNK 0 -5.488 -2.533 -0.120 0.00 0.00 H+0 HETATM 184 H UNK 0 -6.714 -3.460 1.248 0.00 0.00 H+0 HETATM 185 H UNK 0 -6.484 -0.271 1.483 0.00 0.00 H+0 HETATM 186 H UNK 0 -3.797 -1.473 1.007 0.00 0.00 H+0 HETATM 187 H UNK 0 -2.726 -0.938 3.937 0.00 0.00 H+0 HETATM 188 H UNK 0 -2.952 -2.554 3.098 0.00 0.00 H+0 HETATM 189 H UNK 0 -3.797 -2.201 4.624 0.00 0.00 H+0 HETATM 190 H UNK 0 -4.047 4.020 -0.515 0.00 0.00 H+0 HETATM 191 H UNK 0 -3.729 2.511 -2.964 0.00 0.00 H+0 HETATM 192 H UNK 0 -1.995 3.177 -2.561 0.00 0.00 H+0 HETATM 193 H UNK 0 -2.199 5.735 -1.019 0.00 0.00 H+0 HETATM 194 H UNK 0 -1.055 7.272 -3.991 0.00 0.00 H+0 HETATM 195 H UNK 0 -2.036 7.630 -2.472 0.00 0.00 H+0 HETATM 196 H UNK 0 -2.812 7.382 -4.051 0.00 0.00 H+0 HETATM 197 H UNK 0 7.834 5.677 -3.441 0.00 0.00 H+0 CONECT 1 2 100 101 CONECT 2 1 3 13 CONECT 3 2 4 102 103 CONECT 4 3 5 104 CONECT 5 4 6 7 CONECT 6 5 105 106 107 CONECT 7 5 8 108 109 CONECT 8 7 9 110 111 CONECT 9 8 10 112 CONECT 10 9 11 12 CONECT 11 10 113 114 115 CONECT 12 10 116 117 118 CONECT 13 2 14 119 120 CONECT 14 13 15 121 122 CONECT 15 14 16 17 18 CONECT 16 15 123 124 125 CONECT 17 15 126 127 128 CONECT 18 15 19 129 CONECT 19 18 20 130 CONECT 20 19 21 131 132 CONECT 21 20 22 133 134 CONECT 22 21 23 24 CONECT 23 22 135 136 137 CONECT 24 22 25 138 CONECT 25 24 26 139 140 CONECT 26 25 27 CONECT 27 26 28 97 141 CONECT 28 27 29 142 143 CONECT 29 28 30 CONECT 30 29 31 32 33 CONECT 31 30 CONECT 32 30 144 CONECT 33 30 34 CONECT 34 33 35 48 145 CONECT 35 34 36 CONECT 36 35 37 40 146 CONECT 37 36 38 39 CONECT 38 37 147 148 CONECT 39 37 CONECT 40 36 41 42 43 CONECT 41 40 149 150 151 CONECT 42 40 152 CONECT 43 40 44 48 153 CONECT 44 43 45 CONECT 45 44 46 47 CONECT 46 45 154 155 CONECT 47 45 CONECT 48 43 49 34 156 CONECT 49 48 50 CONECT 50 49 51 92 157 CONECT 51 50 52 CONECT 52 51 53 55 158 CONECT 53 52 54 159 160 CONECT 54 53 161 CONECT 55 52 56 90 162 CONECT 56 55 57 CONECT 57 56 58 85 163 CONECT 58 57 59 CONECT 59 58 60 62 164 CONECT 60 59 61 165 166 CONECT 61 60 167 CONECT 62 59 63 83 168 CONECT 63 62 64 CONECT 64 63 65 81 169 CONECT 65 64 66 CONECT 66 65 67 77 170 CONECT 67 66 68 69 CONECT 68 67 CONECT 69 67 70 171 CONECT 70 69 71 75 CONECT 71 70 72 73 CONECT 72 71 172 CONECT 73 71 74 173 174 CONECT 74 73 75 175 176 CONECT 75 74 76 70 CONECT 76 75 CONECT 77 66 78 79 177 CONECT 78 77 178 CONECT 79 77 80 81 179 CONECT 80 79 180 CONECT 81 79 82 64 181 CONECT 82 81 182 CONECT 83 62 84 85 183 CONECT 84 83 184 CONECT 85 83 86 57 185 CONECT 86 85 87 186 CONECT 87 86 88 89 CONECT 88 87 187 188 189 CONECT 89 87 CONECT 90 55 91 92 190 CONECT 91 90 191 CONECT 92 90 93 50 192 CONECT 93 92 94 193 CONECT 94 93 95 96 CONECT 95 94 194 195 196 CONECT 96 94 CONECT 97 27 98 99 CONECT 98 97 CONECT 99 97 197 CONECT 100 1 CONECT 101 1 CONECT 102 3 CONECT 103 3 CONECT 104 4 CONECT 105 6 CONECT 106 6 CONECT 107 6 CONECT 108 7 CONECT 109 7 CONECT 110 8 CONECT 111 8 CONECT 112 9 CONECT 113 11 CONECT 114 11 CONECT 115 11 CONECT 116 12 CONECT 117 12 CONECT 118 12 CONECT 119 13 CONECT 120 13 CONECT 121 14 CONECT 122 14 CONECT 123 16 CONECT 124 16 CONECT 125 16 CONECT 126 17 CONECT 127 17 CONECT 128 17 CONECT 129 18 CONECT 130 19 CONECT 131 20 CONECT 132 20 CONECT 133 21 CONECT 134 21 CONECT 135 23 CONECT 136 23 CONECT 137 23 CONECT 138 24 CONECT 139 25 CONECT 140 25 CONECT 141 27 CONECT 142 28 CONECT 143 28 CONECT 144 32 CONECT 145 34 CONECT 146 36 CONECT 147 38 CONECT 148 38 CONECT 149 41 CONECT 150 41 CONECT 151 41 CONECT 152 42 CONECT 153 43 CONECT 154 46 CONECT 155 46 CONECT 156 48 CONECT 157 50 CONECT 158 52 CONECT 159 53 CONECT 160 53 CONECT 161 54 CONECT 162 55 CONECT 163 57 CONECT 164 59 CONECT 165 60 CONECT 166 60 CONECT 167 61 CONECT 168 62 CONECT 169 64 CONECT 170 66 CONECT 171 69 CONECT 172 72 CONECT 173 73 CONECT 174 73 CONECT 175 74 CONECT 176 74 CONECT 177 77 CONECT 178 78 CONECT 179 79 CONECT 180 80 CONECT 181 81 CONECT 182 82 CONECT 183 83 CONECT 184 84 CONECT 185 85 CONECT 186 86 CONECT 187 88 CONECT 188 88 CONECT 189 88 CONECT 190 90 CONECT 191 91 CONECT 192 92 CONECT 193 93 CONECT 194 95 CONECT 195 95 CONECT 196 95 CONECT 197 99 MASTER 0 0 0 0 0 0 0 0 197 0 402 0 END SMILES for NP0021795 (Pholipomycin)[H]OC(=O)[C@]([H])(OC([H])([H])C(\[H])=C(\C([H])([H])[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=C([H])[H])C([H])([H])C(\[H])=C(/C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])O[C@@]1([H])O[C@]([H])(C(=O)N([H])[H])[C@](O[H])(C([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])[C@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]3([H])O[C@@]([H])(C(=O)N([H])C4=C(O[H])C([H])([H])C([H])([H])C4=O)[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])[C@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]1([H])N([H])C(=O)C([H])([H])[H] INCHI for NP0021795 (Pholipomycin)InChI=1S/C63H98N5O30P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-62(8,9)23-12-11-15-31(4)22-25-88-39(56(82)83)28-89-99(86,87)98-60-51(52(97-61(65)84)63(10,85)53(96-60)54(64)80)95-58-42(67-34(7)72)43(75)48(37(26-69)91-58)92-57-41(66-33(6)71)44(76)49(38(27-70)90-57)93-59-47(79)45(77)46(78)50(94-59)55(81)68-40-35(73)19-20-36(40)74/h12,14,17,22-23,37-39,41-53,57-60,69-70,73,75-79,85H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,64,80)(H2,65,84)(H,66,71)(H,67,72)(H,68,81)(H,82,83)(H,86,87)/b23-12+,30-17+,31-22-/t37-,38-,39-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,57+,58+,59-,60-,63+/m1/s1 3D Structure for NP0021795 (Pholipomycin) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C63H98N5O30P | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 1436.4560 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 1435.60342 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (2R)-3-[({[(2R,3S,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (2R)-3-({[(2R,3S,4S,5S,6S)-6-carbamoyl-4-(carbamoyloxy)-3-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)carbamoyl]oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-5-methyloxan-2-yl]oxy(hydroxy)phosphoryl}oxy)-2-{[(2Z,6E,13E)-3,8,8,14,18-pentamethyl-11-methylidenenonadeca-2,6,13,17-tetraen-1-yl]oxy}propanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)=CCC\C(C)=C\CC(=C)CCC(C)(C)\C=C\CC\C(C)=C/CO[C@H](COP(O)(=O)O[C@H]1O[C@H](C(N)=O)[C@@](C)(O)[C@@H](OC(N)=O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H]([C@H](O)[C@H](O)[C@H]3O)C(=O)NC3=C(O)CCC3=O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)C(O)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C63H98N5O30P/c1-29(2)14-13-16-30(3)17-18-32(5)21-24-62(8,9)23-12-11-15-31(4)22-25-88-39(56(82)83)28-89-99(86,87)98-60-51(52(97-61(65)84)63(10,85)53(96-60)54(64)80)95-58-42(67-34(7)72)43(75)48(37(26-69)91-58)92-57-41(66-33(6)71)44(76)49(38(27-70)90-57)93-59-47(79)45(77)46(78)50(94-59)55(81)68-40-35(73)19-20-36(40)74/h12,14,17,22-23,37-39,41-53,57-60,69-70,73,75-79,85H,5,11,13,15-16,18-21,24-28H2,1-4,6-10H3,(H2,64,80)(H2,65,84)(H,66,71)(H,67,72)(H,68,81)(H,82,83)(H,86,87)/b23-12+,30-17+,31-22-/t37-,38-,39-,41-,42-,43-,44-,45+,46-,47-,48-,49-,50-,51+,52+,53-,57+,58+,59-,60-,63+/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | XYJIXNBDVDMTFA-QGROGYFUSA-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 terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Lipids and lipid-like molecules | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Prenol lipids | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Terpene glycosides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Terpene glycosides | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| 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 | NPA021110 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78443621 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139589144 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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