Showing NP-Card for Syringopeptin SP508 A (NP0006110)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 03:10:29 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:53:52 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0006110 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Syringopeptin SP508 A | |||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Syringopeptin SP508 A is found in Pseudomonas syringae. It was first documented in 2005 (PMID: 16304170). Based on a literature review very few articles have been published on N-[(2Z)-1-[2-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[1-({1-[(1-{[(1Z)-1-{[(15Z,24S,25S)-6,9-bis(2-aminoethyl)-15-ethylidene-5,8,11,14,17,20,23-heptahydroxy-21-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-12,18,25-trimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-24-yl]-C-hydroxycarbonimidoyl}prop-1-en-1-yl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}ethyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)-2-methylpropyl]-C-hydroxycarbonimidoyl}-3-methylbutyl)-C-hydroxycarbonimidoyl]ethyl}-C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}-3-methylbutyl)-C-hydroxycarbonimidoyl]-2-methylpropyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydodecanimidic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0006110 (Syringopeptin SP508 A)Mrv1652307012119033D 325327 0 0 0 0 999 V2000 7.8198 8.9802 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 8.5402 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 7.4730 -1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 6.2244 -0.9949 N 0 0 1 0 0 0 0 0 0 0 0 0 6.8776 5.1469 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8142 4.4064 0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9148 4.3927 -1.5839 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1273 5.2626 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 3.0914 -1.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8948 1.8819 -1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 2.0370 -2.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 0.5598 -1.3643 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7266 0.5432 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 -0.5546 -1.5942 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -1.2890 -2.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6935 -0.8764 -3.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 -2.5145 -2.8822 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3796 -2.3287 -3.9397 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1455 -3.0029 -4.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -4.0154 -3.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -2.6096 -5.2650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9106 -1.6688 -6.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 -3.4084 -6.0062 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 -2.9015 -6.1481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7263 -1.8428 -5.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 -3.5555 -6.9393 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0869 -5.0320 -6.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -3.0361 -6.7175 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0242 -1.9716 -7.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4077 -1.3029 -8.2516 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3998 -1.5998 -7.0149 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6662 -0.1619 -6.9678 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 0.5827 -5.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1873 -0.3841 -4.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7348 1.7830 -5.1124 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3341 2.9877 -5.6528 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7438 3.6339 -6.8627 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3168 4.0823 -6.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5400 4.9504 -7.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8128 1.8115 -4.0231 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 2.7412 -2.9616 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 3.6743 -2.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7839 2.4802 -1.9244 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4796 2.3326 -2.7455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6022 3.3555 -0.8289 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 3.1685 0.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3641 1.9620 0.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 3.8410 1.6036 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9226 3.8281 2.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 3.2905 2.3598 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 2.2772 3.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 1.9349 3.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 1.7598 4.1210 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8304 2.5983 5.2691 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9775 2.8948 6.4156 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7548 3.7405 7.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 3.8327 6.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.3576 4.2186 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2689 -0.7154 4.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 -0.3597 6.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 -2.1370 5.0210 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8003 -2.9177 5.9861 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -3.4016 7.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 -3.0910 7.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 -4.2242 8.1379 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4501 -5.2601 8.8245 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1728 -6.5479 8.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2401 -6.1795 6.9645 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5030 -5.1020 7.6463 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -5.0368 7.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9246 -3.7369 8.5031 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1696 -5.3880 7.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1536 -4.6086 8.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5784 -5.0648 8.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7714 -6.5548 7.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4241 -7.8804 7.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 -8.2578 7.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2547 -8.9358 6.5268 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4373 -9.0186 5.1016 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2078 -10.1324 4.7875 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -8.9462 4.1983 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6978 -9.1024 2.7461 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6684 -8.9323 1.7487 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1548 -7.6369 1.2873 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7956 -6.5807 2.2378 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9303 -5.8637 2.8998 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3304 -4.7862 3.7789 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4885 -3.9816 4.3301 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0997 -2.8402 5.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9893 -2.3965 4.9193 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3491 -3.8497 4.9614 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8574 -1.5004 5.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3650 -2.2452 -7.9401 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8171 -1.9177 -7.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2534 -3.7404 -7.9747 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 -3.6305 -3.2903 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6500 -4.9823 -3.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9065 -3.2946 -4.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4069 7.4857 -1.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9605 8.5423 -2.4536 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 6.3417 -1.9048 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 6.2839 -2.3536 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3110 7.0734 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 8.0729 -0.9644 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0017 7.0468 -1.1637 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2996 7.0879 -1.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3883 8.2538 -2.7899 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1659 9.4240 -2.0455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 7.2146 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 7.8252 0.2794 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 6.8756 -0.7084 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 5.6899 -0.7944 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5388 5.9630 -1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2436 5.3205 0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2808 6.3228 1.2722 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8942 4.1217 0.7446 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5874 3.1148 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8741 2.8549 0.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4634 3.6709 1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2012 2.2080 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9269 2.5003 -2.0884 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2886 1.1350 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0 0 0 0 0 0 0 0 2.8631 1.8330 -3.9959 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9955 2.2988 -4.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9258 3.6149 -5.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 4.1140 -6.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0839 3.4093 -6.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1385 3.8437 -7.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 2.1386 -5.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 1.6420 -5.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7098 2.8981 -2.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7023 2.6915 -1.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2494 4.1079 -2.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0339 4.7679 -2.2282 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7983 4.5168 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6748 9.7826 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 8.1697 -0.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2825 9.5566 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8937 9.4725 -1.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4851 6.3049 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3852 4.4262 -2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2431 5.8104 -2.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2293 5.9215 -0.6950 H 0 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0.1576 2.2772 3.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 1.9349 3.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3707 1.7598 4.1210 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8304 2.5983 5.2691 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9775 2.8948 6.4156 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7548 3.7405 7.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2006 3.8327 6.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4126 0.3576 4.2186 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2689 -0.7154 4.9633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 -0.3597 6.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 -2.1370 5.0210 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8003 -2.9177 5.9861 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 -3.4016 7.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 -3.0910 7.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 -4.2242 8.1379 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4501 -5.2601 8.8245 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1728 -6.5479 8.1167 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2401 -6.1795 6.9645 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5030 -5.1020 7.6463 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -5.0368 7.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9246 -3.7369 8.5031 O 0 0 0 0 0 0 0 0 0 0 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0 3.7996 -4.2430 3.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5132 -0.8201 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 -0.7834 6.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6336 -2.1167 6.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -1.8896 -8.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9409 -0.8613 -7.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5203 -2.3688 -8.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -2.4588 -6.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 -4.0886 -6.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1764 -4.1675 -8.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4007 -4.0908 -8.5923 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1075 -3.6439 -2.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9692 -5.1683 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4578 -5.8021 -3.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2472 -5.1761 -4.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8401 -2.7300 -4.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 -4.2331 -5.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2027 -2.6939 -5.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0651 5.4956 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 6.6315 -3.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1387 7.0075 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 6.1916 -2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4389 8.2980 -3.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6672 8.0996 -3.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 10.2070 -2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3666 7.7395 -0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 4.8296 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4246 6.4528 -1.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8191 5.0261 -2.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1074 6.5979 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8783 3.9395 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5299 2.1612 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6459 2.9455 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7977 4.4722 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4679 4.0173 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4844 1.3022 -1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2801 -0.7676 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 0.4785 1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7459 -1.2577 1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7314 0.1794 0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2804 -2.8791 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5441 -2.5834 0.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0499 -0.3702 1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4668 0.2067 0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 -2.1225 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 -1.9140 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3543 -0.3167 3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0657 -0.5254 3.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 -2.0911 -2.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4033 0.4053 -0.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 -1.0303 1.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7289 -0.8060 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1847 -3.3582 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0071 -3.0658 1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0929 -3.0949 0.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1831 -4.2885 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6901 0.4905 -2.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0691 1.6930 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9664 2.4217 -4.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5306 0.7768 -4.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0662 4.2424 -5.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8806 5.1376 -6.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9423 4.3542 -6.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0486 1.5052 -6.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3138 0.6541 -4.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3226 4.5203 -2.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0009 5.1000 -0.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7496 3.4623 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 4.8837 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 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 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 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 1 0 0 0 0 35 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 51 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 53 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 59 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 2 0 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 70 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 72 75 1 0 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 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 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 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 88 89 1 0 0 0 0 61 90 1 0 0 0 0 90 91 1 0 0 0 0 90 92 1 0 0 0 0 31 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 1 0 0 0 0 17 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 1 0 0 0 0 3 99 1 0 0 0 0 99100 2 0 0 0 0 99101 1 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 2 0 0 0 0 103105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 106109 1 0 0 0 0 109110 2 0 0 0 0 109111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112114 1 0 0 0 0 114115 2 0 0 0 0 114116 1 0 0 0 0 116117 1 0 0 0 0 117118 2 0 0 0 0 118119 1 0 0 0 0 117120 1 0 0 0 0 120121 2 0 0 0 0 120122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123125 1 0 0 0 0 125126 2 0 0 0 0 125127 1 0 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 128132 1 0 0 0 0 132133 2 0 0 0 0 132134 1 0 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 135139 1 0 0 0 0 139140 2 0 0 0 0 139141 1 0 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 144145 2 0 0 0 0 145146 1 0 0 0 0 146147 2 0 0 0 0 147148 1 0 0 0 0 147149 1 0 0 0 0 149150 2 0 0 0 0 142151 1 0 0 0 0 151152 2 0 0 0 0 151153 1 0 0 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 69 65 1 0 0 0 0 154102 1 0 0 0 0 150144 1 0 0 0 0 1156 1 0 0 0 0 1157 1 0 0 0 0 1158 1 0 0 0 0 2159 1 0 0 0 0 4160 1 0 0 0 0 7161 1 6 0 0 0 8162 1 0 0 0 0 8163 1 0 0 0 0 8164 1 0 0 0 0 9165 1 0 0 0 0 12166 1 6 0 0 0 13167 1 0 0 0 0 13168 1 0 0 0 0 13169 1 0 0 0 0 14170 1 0 0 0 0 17171 1 1 0 0 0 18172 1 0 0 0 0 21173 1 1 0 0 0 22174 1 0 0 0 0 22175 1 0 0 0 0 22176 1 0 0 0 0 23177 1 0 0 0 0 26178 1 6 0 0 0 27179 1 0 0 0 0 27180 1 0 0 0 0 27181 1 0 0 0 0 28182 1 0 0 0 0 31183 1 1 0 0 0 32184 1 0 0 0 0 35185 1 1 0 0 0 36186 1 0 0 0 0 36187 1 0 0 0 0 37188 1 6 0 0 0 38189 1 0 0 0 0 38190 1 0 0 0 0 38191 1 0 0 0 0 39192 1 0 0 0 0 39193 1 0 0 0 0 39194 1 0 0 0 0 40195 1 0 0 0 0 43196 1 1 0 0 0 44197 1 0 0 0 0 44198 1 0 0 0 0 44199 1 0 0 0 0 45200 1 0 0 0 0 48201 1 6 0 0 0 49202 1 0 0 0 0 49203 1 0 0 0 0 49204 1 0 0 0 0 50205 1 0 0 0 0 53206 1 6 0 0 0 54207 1 0 0 0 0 54208 1 0 0 0 0 55209 1 1 0 0 0 56210 1 0 0 0 0 56211 1 0 0 0 0 56212 1 0 0 0 0 57213 1 0 0 0 0 57214 1 0 0 0 0 57215 1 0 0 0 0 58216 1 0 0 0 0 61217 1 6 0 0 0 62218 1 0 0 0 0 65219 1 1 0 0 0 66220 1 0 0 0 0 66221 1 0 0 0 0 67222 1 0 0 0 0 67223 1 0 0 0 0 68224 1 0 0 0 0 68225 1 0 0 0 0 73226 1 0 0 0 0 74227 1 0 0 0 0 74228 1 0 0 0 0 74229 1 0 0 0 0 75230 1 0 0 0 0 78231 1 0 0 0 0 78232 1 0 0 0 0 79233 1 6 0 0 0 80234 1 0 0 0 0 81235 1 0 0 0 0 81236 1 0 0 0 0 82237 1 0 0 0 0 82238 1 0 0 0 0 83239 1 0 0 0 0 83240 1 0 0 0 0 84241 1 0 0 0 0 84242 1 0 0 0 0 85243 1 0 0 0 0 85244 1 0 0 0 0 86245 1 0 0 0 0 86246 1 0 0 0 0 87247 1 0 0 0 0 87248 1 0 0 0 0 88249 1 0 0 0 0 88250 1 0 0 0 0 89251 1 0 0 0 0 89252 1 0 0 0 0 89253 1 0 0 0 0 90254 1 6 0 0 0 91255 1 0 0 0 0 91256 1 0 0 0 0 91257 1 0 0 0 0 92258 1 0 0 0 0 92259 1 0 0 0 0 92260 1 0 0 0 0 93261 1 6 0 0 0 94262 1 0 0 0 0 94263 1 0 0 0 0 94264 1 0 0 0 0 95265 1 0 0 0 0 95266 1 0 0 0 0 95267 1 0 0 0 0 96268 1 1 0 0 0 97269 1 0 0 0 0 97270 1 0 0 0 0 97271 1 0 0 0 0 98272 1 0 0 0 0 98273 1 0 0 0 0 98274 1 0 0 0 0 101275 1 0 0 0 0 102276 1 6 0 0 0 105277 1 0 0 0 0 106278 1 6 0 0 0 107279 1 0 0 0 0 107280 1 0 0 0 0 108281 1 0 0 0 0 111282 1 0 0 0 0 112283 1 6 0 0 0 113284 1 0 0 0 0 113285 1 0 0 0 0 113286 1 0 0 0 0 116287 1 0 0 0 0 118288 1 0 0 0 0 119289 1 0 0 0 0 119290 1 0 0 0 0 119291 1 0 0 0 0 122292 1 0 0 0 0 123293 1 6 0 0 0 124294 1 0 0 0 0 124295 1 0 0 0 0 124296 1 0 0 0 0 127297 1 0 0 0 0 128298 1 1 0 0 0 129299 1 0 0 0 0 129300 1 0 0 0 0 130301 1 0 0 0 0 130302 1 0 0 0 0 131303 1 0 0 0 0 131304 1 0 0 0 0 134305 1 0 0 0 0 135306 1 1 0 0 0 136307 1 0 0 0 0 136308 1 0 0 0 0 137309 1 0 0 0 0 137310 1 0 0 0 0 138311 1 0 0 0 0 138312 1 0 0 0 0 141313 1 0 0 0 0 142314 1 1 0 0 0 143315 1 0 0 0 0 143316 1 0 0 0 0 145317 1 0 0 0 0 146318 1 0 0 0 0 148319 1 0 0 0 0 149320 1 0 0 0 0 150321 1 0 0 0 0 154322 1 6 0 0 0 155323 1 0 0 0 0 155324 1 0 0 0 0 155325 1 0 0 0 0 M END > <DATABASE_ID> NP0006110 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)\C(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(\N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)C(\N([H])C(=O)C([H])([H])[C@]([H])(O[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])[H])=C(/[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(/[H])C([H])([H])[H])[C@@]([H])(OC1=O)C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])=C(/[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])N([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C104H170N24O27/c1-24-28-29-30-31-32-33-35-67(131)49-78(132)115-70(27-4)103(153)128-45-34-36-77(128)98(148)126-81(55(13)14)101(151)121-73(46-51(5)6)95(145)111-56(15)83(133)108-60(19)89(139)120-74(47-52(7)8)96(146)125-80(54(11)12)100(150)114-58(17)85(135)109-63(22)90(140)124-79(53(9)10)99(149)113-57(16)84(134)107-59(18)86(136)117-69(26-3)92(142)127-82-64(23)155-104(154)75(48-65-37-39-66(130)40-38-65)122-94(144)72(42-44-106)119-93(143)71(41-43-105)118-88(138)62(21)110-91(141)68(25-2)116-87(137)61(20)112-97(147)76(50-129)123-102(82)152/h25-27,37-40,51-64,67,71-77,79-82,129-131H,24,28-36,41-50,105-106H2,1-23H3,(H,107,134)(H,108,133)(H,109,135)(H,110,141)(H,111,145)(H,112,147)(H,113,149)(H,114,150)(H,115,132)(H,116,137)(H,117,136)(H,118,138)(H,119,143)(H,120,139)(H,121,151)(H,122,144)(H,123,152)(H,124,140)(H,125,146)(H,126,148)(H,127,142)/b68-25-,69-26-,70-27-/t56-,57-,58-,59-,60-,61-,62-,63-,64+,67-,71-,72+,73-,74+,75-,76-,77+,79+,80+,81-,82+/m1/s1 > <INCHI_KEY> HHDQRNAQGXUIRL-ZUVLKGGBSA-N > <FORMULA> C104H170N24O27 > <MOLECULAR_WEIGHT> 2188.645 > <EXACT_MASS> 2187.26672631 > <JCHEM_ACCEPTOR_COUNT> 28 > <JCHEM_ATOM_COUNT> 325 > <JCHEM_AVERAGE_POLARIZABILITY> 232.5159905168904 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 26 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R)-N-[(2Z)-1-[(2S)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-[(1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3R,6S,9R,12R,15Z,18R,21R,24S,25S)-6,9-bis(2-aminoethyl)-15-ethylidene-21-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-12,18,25-trimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydodecanamide > <JCHEM_LOGP> -4.726489348509193 > <JCHEM_MDDR_LIKE_RULE> 1 > <JCHEM_NUMBER_OF_RINGS> 3 > <JCHEM_PHYSIOLOGICAL_CHARGE> 2 > <JCHEM_PKA> 11.416367897294135 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.050097318117084 > <JCHEM_PKA_STRONGEST_BASIC> 9.99620384318851 > <JCHEM_POLAR_SURFACE_AREA> 770.4399999999999 > <JCHEM_REFRACTIVITY> 567.7856 > <JCHEM_ROTATABLE_BOND_COUNT> 52 > <JCHEM_RULE_OF_FIVE> 0 > <JCHEM_TRADITIONAL_IUPAC> (3R)-N-[(2Z)-1-[(2S)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-[(1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3R,6S,9R,12R,15Z,18R,21R,24S,25S)-6,9-bis(2-aminoethyl)-15-ethylidene-21-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-12,18,25-trimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydodecanamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0006110 (Syringopeptin SP508 A)RDKit 3D 325327 0 0 0 0 0 0 0 0999 V2000 7.8198 8.9802 -1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 8.5402 -1.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 7.4730 -1.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3831 6.2244 -0.9949 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 5.1469 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8142 4.4064 0.3889 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9148 4.3927 -1.5839 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1273 5.2626 -1.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2225 3.0914 -1.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8948 1.8819 -1.8367 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 2.0370 -2.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2431 0.5598 -1.3643 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7266 0.5432 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4186 -0.5546 -1.5942 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1643 -1.2890 -2.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6935 -0.8764 -3.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3121 -2.5145 -2.8822 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3796 -2.3287 -3.9397 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1455 -3.0029 -4.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7864 -4.0154 -3.4956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 -2.6096 -5.2650 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9106 -1.6688 -6.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 -3.4084 -6.0062 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9921 -2.9015 -6.1481 C 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1 0 M END PDB for NP0006110 (Syringopeptin SP508 A)HEADER PROTEIN 01-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 01-JUL-21 0 HETATM 1 C UNK 0 7.820 8.980 -1.107 0.00 0.00 C+0 HETATM 2 C UNK 0 6.444 8.540 -1.488 0.00 0.00 C+0 HETATM 3 C UNK 0 5.806 7.473 -1.465 0.00 0.00 C+0 HETATM 4 N UNK 0 6.383 6.224 -0.995 0.00 0.00 N+0 HETATM 5 C UNK 0 6.878 5.147 -0.583 0.00 0.00 C+0 HETATM 6 O UNK 0 6.814 4.406 0.389 0.00 0.00 O+0 HETATM 7 C UNK 0 7.915 4.393 -1.584 0.00 0.00 C+0 HETATM 8 C UNK 0 9.127 5.263 -1.570 0.00 0.00 C+0 HETATM 9 N UNK 0 8.223 3.091 -1.109 0.00 0.00 N+0 HETATM 10 C UNK 0 7.895 1.882 -1.837 0.00 0.00 C+0 HETATM 11 O UNK 0 7.285 2.037 -2.904 0.00 0.00 O+0 HETATM 12 C UNK 0 8.243 0.560 -1.364 0.00 0.00 C+0 HETATM 13 C UNK 0 8.727 0.543 0.064 0.00 0.00 C+0 HETATM 14 N UNK 0 7.419 -0.555 -1.594 0.00 0.00 N+0 HETATM 15 C UNK 0 7.164 -1.289 -2.792 0.00 0.00 C+0 HETATM 16 O UNK 0 7.694 -0.876 -3.843 0.00 0.00 O+0 HETATM 17 C UNK 0 6.312 -2.515 -2.882 0.00 0.00 C+0 HETATM 18 N UNK 0 5.380 -2.329 -3.940 0.00 0.00 N+0 HETATM 19 C UNK 0 4.146 -3.003 -4.226 0.00 0.00 C+0 HETATM 20 O UNK 0 3.786 -4.015 -3.496 0.00 0.00 O+0 HETATM 21 C UNK 0 3.264 -2.610 -5.265 0.00 0.00 C+0 HETATM 22 C UNK 0 3.911 -1.669 -6.301 0.00 0.00 C+0 HETATM 23 N UNK 0 2.370 -3.408 -6.006 0.00 0.00 N+0 HETATM 24 C UNK 0 0.992 -2.902 -6.148 0.00 0.00 C+0 HETATM 25 O UNK 0 0.726 -1.843 -5.559 0.00 0.00 O+0 HETATM 26 C UNK 0 -0.029 -3.555 -6.939 0.00 0.00 C+0 HETATM 27 C UNK 0 0.087 -5.032 -6.933 0.00 0.00 C+0 HETATM 28 N UNK 0 -1.339 -3.036 -6.718 0.00 0.00 N+0 HETATM 29 C UNK 0 -2.024 -1.972 -7.350 0.00 0.00 C+0 HETATM 30 O UNK 0 -1.408 -1.303 -8.252 0.00 0.00 O+0 HETATM 31 C UNK 0 -3.400 -1.600 -7.015 0.00 0.00 C+0 HETATM 32 N UNK 0 -3.666 -0.162 -6.968 0.00 0.00 N+0 HETATM 33 C UNK 0 -3.610 0.583 -5.863 0.00 0.00 C+0 HETATM 34 O UNK 0 -3.187 -0.384 -4.843 0.00 0.00 O+0 HETATM 35 C UNK 0 -3.735 1.783 -5.112 0.00 0.00 C+0 HETATM 36 C UNK 0 -4.334 2.988 -5.653 0.00 0.00 C+0 HETATM 37 C UNK 0 -3.744 3.634 -6.863 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.317 4.082 -6.696 0.00 0.00 C+0 HETATM 39 C UNK 0 -4.540 4.950 -7.152 0.00 0.00 C+0 HETATM 40 N UNK 0 -2.813 1.812 -4.023 0.00 0.00 N+0 HETATM 41 C UNK 0 -2.752 2.741 -2.962 0.00 0.00 C+0 HETATM 42 O UNK 0 -3.516 3.674 -2.997 0.00 0.00 O+0 HETATM 43 C UNK 0 -1.784 2.480 -1.924 0.00 0.00 C+0 HETATM 44 C UNK 0 -0.480 2.333 -2.745 0.00 0.00 C+0 HETATM 45 N UNK 0 -1.602 3.356 -0.829 0.00 0.00 N+0 HETATM 46 C UNK 0 -0.960 3.168 0.368 0.00 0.00 C+0 HETATM 47 O UNK 0 -0.364 1.962 0.388 0.00 0.00 O+0 HETATM 48 C UNK 0 -0.716 3.841 1.604 0.00 0.00 C+0 HETATM 49 C UNK 0 -1.923 3.828 2.558 0.00 0.00 C+0 HETATM 50 N UNK 0 0.410 3.291 2.360 0.00 0.00 N+0 HETATM 51 C UNK 0 0.158 2.277 3.418 0.00 0.00 C+0 HETATM 52 O UNK 0 -0.937 1.935 3.647 0.00 0.00 O+0 HETATM 53 C UNK 0 1.371 1.760 4.121 0.00 0.00 C+0 HETATM 54 C UNK 0 1.830 2.598 5.269 0.00 0.00 C+0 HETATM 55 C UNK 0 0.978 2.895 6.416 0.00 0.00 C+0 HETATM 56 C UNK 0 1.755 3.740 7.434 0.00 0.00 C+0 HETATM 57 C UNK 0 -0.201 3.833 6.032 0.00 0.00 C+0 HETATM 58 N UNK 0 1.413 0.358 4.219 0.00 0.00 N+0 HETATM 59 C UNK 0 1.269 -0.715 4.963 0.00 0.00 C+0 HETATM 60 O UNK 0 0.726 -0.360 6.256 0.00 0.00 O+0 HETATM 61 C UNK 0 1.482 -2.137 5.021 0.00 0.00 C+0 HETATM 62 N UNK 0 0.800 -2.918 5.986 0.00 0.00 N+0 HETATM 63 C UNK 0 1.299 -3.402 7.216 0.00 0.00 C+0 HETATM 64 O UNK 0 2.460 -3.091 7.519 0.00 0.00 O+0 HETATM 65 C UNK 0 0.534 -4.224 8.138 0.00 0.00 C+0 HETATM 66 C UNK 0 1.450 -5.260 8.825 0.00 0.00 C+0 HETATM 67 C UNK 0 1.173 -6.548 8.117 0.00 0.00 C+0 HETATM 68 C UNK 0 0.240 -6.180 6.965 0.00 0.00 C+0 HETATM 69 N UNK 0 -0.503 -5.102 7.646 0.00 0.00 N+0 HETATM 70 C UNK 0 -1.827 -5.037 7.778 0.00 0.00 C+0 HETATM 71 O UNK 0 -1.925 -3.737 8.503 0.00 0.00 O+0 HETATM 72 C UNK 0 -3.170 -5.388 7.690 0.00 0.00 C+0 HETATM 73 C UNK 0 -4.154 -4.609 8.236 0.00 0.00 C+0 HETATM 74 C UNK 0 -5.578 -5.065 8.107 0.00 0.00 C+0 HETATM 75 N UNK 0 -3.771 -6.555 7.083 0.00 0.00 N+0 HETATM 76 C UNK 0 -3.424 -7.880 7.154 0.00 0.00 C+0 HETATM 77 O UNK 0 -2.400 -8.258 7.755 0.00 0.00 O+0 HETATM 78 C UNK 0 -4.255 -8.936 6.527 0.00 0.00 C+0 HETATM 79 C UNK 0 -4.437 -9.019 5.102 0.00 0.00 C+0 HETATM 80 O UNK 0 -5.208 -10.132 4.787 0.00 0.00 O+0 HETATM 81 C UNK 0 -3.237 -8.946 4.198 0.00 0.00 C+0 HETATM 82 C UNK 0 -3.698 -9.102 2.746 0.00 0.00 C+0 HETATM 83 C UNK 0 -2.668 -8.932 1.749 0.00 0.00 C+0 HETATM 84 C UNK 0 -2.155 -7.637 1.287 0.00 0.00 C+0 HETATM 85 C UNK 0 -1.796 -6.581 2.238 0.00 0.00 C+0 HETATM 86 C UNK 0 -2.930 -5.864 2.900 0.00 0.00 C+0 HETATM 87 C UNK 0 -2.330 -4.786 3.779 0.00 0.00 C+0 HETATM 88 C UNK 0 -3.489 -3.982 4.330 0.00 0.00 C+0 HETATM 89 C UNK 0 -3.100 -2.840 5.184 0.00 0.00 C+0 HETATM 90 C UNK 0 2.989 -2.397 4.919 0.00 0.00 C+0 HETATM 91 C UNK 0 3.349 -3.850 4.961 0.00 0.00 C+0 HETATM 92 C UNK 0 3.857 -1.500 5.720 0.00 0.00 C+0 HETATM 93 C UNK 0 -4.365 -2.245 -7.940 0.00 0.00 C+0 HETATM 94 C UNK 0 -5.817 -1.918 -7.547 0.00 0.00 C+0 HETATM 95 C UNK 0 -4.253 -3.740 -7.975 0.00 0.00 C+0 HETATM 96 C UNK 0 7.313 -3.631 -3.290 0.00 0.00 C+0 HETATM 97 C UNK 0 6.650 -4.982 -3.345 0.00 0.00 C+0 HETATM 98 C UNK 0 7.907 -3.295 -4.663 0.00 0.00 C+0 HETATM 99 C UNK 0 4.407 7.486 -1.981 0.00 0.00 C+0 HETATM 100 O UNK 0 3.961 8.542 -2.454 0.00 0.00 O+0 HETATM 101 N UNK 0 3.630 6.342 -1.905 0.00 0.00 N+0 HETATM 102 C UNK 0 2.251 6.284 -2.354 0.00 0.00 C+0 HETATM 103 C UNK 0 1.311 7.073 -1.512 0.00 0.00 C+0 HETATM 104 O UNK 0 1.976 8.073 -0.964 0.00 0.00 O+0 HETATM 105 N UNK 0 -0.002 7.047 -1.164 0.00 0.00 N+0 HETATM 106 C UNK 0 -1.300 7.088 -1.798 0.00 0.00 C+0 HETATM 107 C UNK 0 -1.388 8.254 -2.790 0.00 0.00 C+0 HETATM 108 O UNK 0 -1.166 9.424 -2.046 0.00 0.00 O+0 HETATM 109 C UNK 0 -2.391 7.215 -0.787 0.00 0.00 C+0 HETATM 110 O UNK 0 -1.899 7.825 0.279 0.00 0.00 O+0 HETATM 111 N UNK 0 -3.704 6.876 -0.708 0.00 0.00 N+0 HETATM 112 C UNK 0 -4.497 5.690 -0.794 0.00 0.00 C+0 HETATM 113 C UNK 0 -5.539 5.963 -1.898 0.00 0.00 C+0 HETATM 114 C UNK 0 -5.244 5.321 0.409 0.00 0.00 C+0 HETATM 115 O UNK 0 -5.281 6.323 1.272 0.00 0.00 O+0 HETATM 116 N UNK 0 -5.894 4.122 0.745 0.00 0.00 N+0 HETATM 117 C UNK 0 -6.587 3.115 0.065 0.00 0.00 C+0 HETATM 118 C UNK 0 -7.874 2.855 0.448 0.00 0.00 C+0 HETATM 119 C UNK 0 -8.463 3.671 1.598 0.00 0.00 C+0 HETATM 120 C UNK 0 -6.201 2.208 -1.012 0.00 0.00 C+0 HETATM 121 O UNK 0 -6.927 2.500 -2.088 0.00 0.00 O+0 HETATM 122 N UNK 0 -5.289 1.135 -1.149 0.00 0.00 N+0 HETATM 123 C UNK 0 -5.320 -0.226 -0.573 0.00 0.00 C+0 HETATM 124 C UNK 0 -5.686 -0.233 0.840 0.00 0.00 C+0 HETATM 125 C UNK 0 -4.258 -1.052 -1.142 0.00 0.00 C+0 HETATM 126 O UNK 0 -4.478 -0.980 -2.458 0.00 0.00 O+0 HETATM 127 N UNK 0 -3.173 -1.837 -0.861 0.00 0.00 N+0 HETATM 128 C UNK 0 -1.811 -1.586 -0.330 0.00 0.00 C+0 HETATM 129 C UNK 0 -1.926 -0.666 0.831 0.00 0.00 C+0 HETATM 130 C UNK 0 -2.789 -1.384 1.928 0.00 0.00 C+0 HETATM 131 N UNK 0 -3.069 -0.489 2.982 0.00 0.00 N+0 HETATM 132 C UNK 0 -0.788 -1.382 -1.349 0.00 0.00 C+0 HETATM 133 O UNK 0 -1.344 -1.144 -2.515 0.00 0.00 O+0 HETATM 134 N UNK 0 0.582 -1.378 -1.408 0.00 0.00 N+0 HETATM 135 C UNK 0 1.682 -0.698 -0.778 0.00 0.00 C+0 HETATM 136 C UNK 0 1.827 -1.299 0.597 0.00 0.00 C+0 HETATM 137 C UNK 0 2.048 -2.757 0.732 0.00 0.00 C+0 HETATM 138 N UNK 0 3.221 -3.282 0.194 0.00 0.00 N+0 HETATM 139 C UNK 0 2.963 -0.631 -1.447 0.00 0.00 C+0 HETATM 140 O UNK 0 3.567 -1.712 -1.529 0.00 0.00 O+0 HETATM 141 N UNK 0 3.673 0.492 -2.043 0.00 0.00 N+0 HETATM 142 C UNK 0 2.930 1.620 -2.536 0.00 0.00 C+0 HETATM 143 C UNK 0 2.863 1.833 -3.996 0.00 0.00 C+0 HETATM 144 C UNK 0 3.995 2.299 -4.768 0.00 0.00 C+0 HETATM 145 C UNK 0 3.926 3.615 -5.320 0.00 0.00 C+0 HETATM 146 C UNK 0 4.935 4.114 -6.072 0.00 0.00 C+0 HETATM 147 C UNK 0 6.084 3.409 -6.365 0.00 0.00 C+0 HETATM 148 O UNK 0 7.138 3.844 -7.121 0.00 0.00 O+0 HETATM 149 C UNK 0 6.163 2.139 -5.845 0.00 0.00 C+0 HETATM 150 C UNK 0 5.133 1.642 -5.073 0.00 0.00 C+0 HETATM 151 C UNK 0 3.710 2.898 -2.100 0.00 0.00 C+0 HETATM 152 O UNK 0 4.702 2.692 -1.425 0.00 0.00 O+0 HETATM 153 O UNK 0 3.249 4.108 -2.492 0.00 0.00 O+0 HETATM 154 C UNK 0 2.034 4.768 -2.228 0.00 0.00 C+0 HETATM 155 C UNK 0 1.798 4.517 -0.756 0.00 0.00 C+0 HETATM 156 H UNK 0 7.675 9.783 -0.291 0.00 0.00 H+0 HETATM 157 H UNK 0 8.437 8.170 -0.798 0.00 0.00 H+0 HETATM 158 H UNK 0 8.283 9.557 -1.930 0.00 0.00 H+0 HETATM 159 H UNK 0 5.894 9.473 -1.927 0.00 0.00 H+0 HETATM 160 H UNK 0 5.485 6.305 0.017 0.00 0.00 H+0 HETATM 161 H UNK 0 7.385 4.426 -2.543 0.00 0.00 H+0 HETATM 162 H UNK 0 9.243 5.810 -2.567 0.00 0.00 H+0 HETATM 163 H UNK 0 9.229 5.922 -0.695 0.00 0.00 H+0 HETATM 164 H UNK 0 10.078 4.621 -1.563 0.00 0.00 H+0 HETATM 165 H UNK 0 8.732 3.024 -0.184 0.00 0.00 H+0 HETATM 166 H UNK 0 9.225 0.309 -1.976 0.00 0.00 H+0 HETATM 167 H UNK 0 9.595 1.214 0.256 0.00 0.00 H+0 HETATM 168 H UNK 0 7.841 0.807 0.706 0.00 0.00 H+0 HETATM 169 H UNK 0 8.954 -0.504 0.316 0.00 0.00 H+0 HETATM 170 H UNK 0 6.872 -0.935 -0.763 0.00 0.00 H+0 HETATM 171 H UNK 0 5.965 -2.840 -1.917 0.00 0.00 H+0 HETATM 172 H UNK 0 5.602 -1.581 -4.694 0.00 0.00 H+0 HETATM 173 H UNK 0 2.528 -1.781 -4.721 0.00 0.00 H+0 HETATM 174 H UNK 0 4.059 -0.727 -5.789 0.00 0.00 H+0 HETATM 175 H UNK 0 4.849 -2.099 -6.632 0.00 0.00 H+0 HETATM 176 H UNK 0 3.241 -1.568 -7.192 0.00 0.00 H+0 HETATM 177 H UNK 0 2.600 -4.303 -6.431 0.00 0.00 H+0 HETATM 178 H UNK 0 0.245 -3.208 -8.013 0.00 0.00 H+0 HETATM 179 H UNK 0 0.408 -5.494 -7.908 0.00 0.00 H+0 HETATM 180 H UNK 0 -0.869 -5.558 -6.641 0.00 0.00 H+0 HETATM 181 H UNK 0 0.839 -5.345 -6.161 0.00 0.00 H+0 HETATM 182 H UNK 0 -1.888 -3.536 -5.928 0.00 0.00 H+0 HETATM 183 H UNK 0 -3.629 -2.021 -5.966 0.00 0.00 H+0 HETATM 184 H UNK 0 -3.918 0.248 -7.930 0.00 0.00 H+0 HETATM 185 H UNK 0 -4.728 1.436 -4.390 0.00 0.00 H+0 HETATM 186 H UNK 0 -5.419 2.783 -5.954 0.00 0.00 H+0 HETATM 187 H UNK 0 -4.472 3.829 -4.917 0.00 0.00 H+0 HETATM 188 H UNK 0 -3.906 3.047 -7.816 0.00 0.00 H+0 HETATM 189 H UNK 0 -1.686 3.405 -6.098 0.00 0.00 H+0 HETATM 190 H UNK 0 -1.860 4.348 -7.681 0.00 0.00 H+0 HETATM 191 H UNK 0 -2.357 5.069 -6.122 0.00 0.00 H+0 HETATM 192 H UNK 0 -4.511 5.231 -8.180 0.00 0.00 H+0 HETATM 193 H UNK 0 -4.201 5.705 -6.428 0.00 0.00 H+0 HETATM 194 H UNK 0 -5.582 4.687 -6.831 0.00 0.00 H+0 HETATM 195 H UNK 0 -2.107 0.985 -4.067 0.00 0.00 H+0 HETATM 196 H UNK 0 -1.902 1.436 -1.422 0.00 0.00 H+0 HETATM 197 H UNK 0 -0.694 2.760 -3.736 0.00 0.00 H+0 HETATM 198 H UNK 0 -0.242 1.271 -2.926 0.00 0.00 H+0 HETATM 199 H UNK 0 0.317 2.741 -2.163 0.00 0.00 H+0 HETATM 200 H UNK 0 -1.967 4.363 -0.950 0.00 0.00 H+0 HETATM 201 H UNK 0 -0.413 4.940 1.532 0.00 0.00 H+0 HETATM 202 H UNK 0 -1.640 4.108 3.575 0.00 0.00 H+0 HETATM 203 H UNK 0 -2.519 2.921 2.555 0.00 0.00 H+0 HETATM 204 H UNK 0 -2.591 4.618 2.085 0.00 0.00 H+0 HETATM 205 H UNK 0 1.349 3.587 2.225 0.00 0.00 H+0 HETATM 206 H UNK 0 2.237 2.053 3.335 0.00 0.00 H+0 HETATM 207 H UNK 0 2.038 3.639 4.780 0.00 0.00 H+0 HETATM 208 H UNK 0 2.895 2.311 5.572 0.00 0.00 H+0 HETATM 209 H UNK 0 0.558 2.043 6.920 0.00 0.00 H+0 HETATM 210 H UNK 0 2.736 4.084 7.033 0.00 0.00 H+0 HETATM 211 H UNK 0 1.161 4.578 7.855 0.00 0.00 H+0 HETATM 212 H UNK 0 2.002 3.067 8.297 0.00 0.00 H+0 HETATM 213 H UNK 0 -1.145 3.280 5.969 0.00 0.00 H+0 HETATM 214 H UNK 0 0.042 4.400 5.117 0.00 0.00 H+0 HETATM 215 H UNK 0 -0.373 4.597 6.844 0.00 0.00 H+0 HETATM 216 H UNK 0 1.751 -0.026 3.135 0.00 0.00 H+0 HETATM 217 H UNK 0 1.138 -2.589 3.994 0.00 0.00 H+0 HETATM 218 H UNK 0 -0.203 -3.186 5.778 0.00 0.00 H+0 HETATM 219 H UNK 0 0.099 -3.585 8.983 0.00 0.00 H+0 HETATM 220 H UNK 0 2.500 -4.968 8.572 0.00 0.00 H+0 HETATM 221 H UNK 0 1.264 -5.261 9.904 0.00 0.00 H+0 HETATM 222 H UNK 0 2.031 -7.059 7.690 0.00 0.00 H+0 HETATM 223 H UNK 0 0.573 -7.238 8.735 0.00 0.00 H+0 HETATM 224 H UNK 0 -0.377 -6.988 6.606 0.00 0.00 H+0 HETATM 225 H UNK 0 0.832 -5.799 6.108 0.00 0.00 H+0 HETATM 226 H UNK 0 -3.959 -3.720 8.744 0.00 0.00 H+0 HETATM 227 H UNK 0 -5.715 -6.124 8.260 0.00 0.00 H+0 HETATM 228 H UNK 0 -6.182 -4.474 8.799 0.00 0.00 H+0 HETATM 229 H UNK 0 -5.969 -4.828 7.091 0.00 0.00 H+0 HETATM 230 H UNK 0 -4.621 -6.325 6.452 0.00 0.00 H+0 HETATM 231 H UNK 0 -5.279 -8.827 7.019 0.00 0.00 H+0 HETATM 232 H UNK 0 -3.948 -9.968 6.910 0.00 0.00 H+0 HETATM 233 H UNK 0 -5.167 -8.149 4.765 0.00 0.00 H+0 HETATM 234 H UNK 0 -5.752 -9.935 3.970 0.00 0.00 H+0 HETATM 235 H UNK 0 -2.496 -8.232 4.406 0.00 0.00 H+0 HETATM 236 H UNK 0 -2.704 -9.975 4.370 0.00 0.00 H+0 HETATM 237 H UNK 0 -4.150 -10.122 2.607 0.00 0.00 H+0 HETATM 238 H UNK 0 -4.582 -8.409 2.616 0.00 0.00 H+0 HETATM 239 H UNK 0 -1.725 -9.543 2.060 0.00 0.00 H+0 HETATM 240 H UNK 0 -2.944 -9.500 0.766 0.00 0.00 H+0 HETATM 241 H UNK 0 -1.242 -7.822 0.601 0.00 0.00 H+0 HETATM 242 H UNK 0 -2.874 -7.182 0.495 0.00 0.00 H+0 HETATM 243 H UNK 0 -1.168 -5.777 1.751 0.00 0.00 H+0 HETATM 244 H UNK 0 -1.121 -6.921 3.072 0.00 0.00 H+0 HETATM 245 H UNK 0 -3.491 -5.270 2.075 0.00 0.00 H+0 HETATM 246 H UNK 0 -3.658 -6.396 3.468 0.00 0.00 H+0 HETATM 247 H UNK 0 -1.852 -5.245 4.687 0.00 0.00 H+0 HETATM 248 H UNK 0 -1.580 -4.244 3.233 0.00 0.00 H+0 HETATM 249 H UNK 0 -4.187 -4.697 4.825 0.00 0.00 H+0 HETATM 250 H UNK 0 -4.117 -3.557 3.473 0.00 0.00 H+0 HETATM 251 H UNK 0 -3.867 -2.003 5.122 0.00 0.00 H+0 HETATM 252 H UNK 0 -2.948 -2.992 6.231 0.00 0.00 H+0 HETATM 253 H UNK 0 -2.174 -2.372 4.770 0.00 0.00 H+0 HETATM 254 H UNK 0 3.225 -2.113 3.825 0.00 0.00 H+0 HETATM 255 H UNK 0 2.427 -4.409 5.109 0.00 0.00 H+0 HETATM 256 H UNK 0 4.154 -4.107 5.693 0.00 0.00 H+0 HETATM 257 H UNK 0 3.800 -4.243 3.991 0.00 0.00 H+0 HETATM 258 H UNK 0 4.513 -0.820 5.072 0.00 0.00 H+0 HETATM 259 H UNK 0 3.347 -0.783 6.391 0.00 0.00 H+0 HETATM 260 H UNK 0 4.634 -2.117 6.241 0.00 0.00 H+0 HETATM 261 H UNK 0 -4.166 -1.890 -8.990 0.00 0.00 H+0 HETATM 262 H UNK 0 -5.941 -0.861 -7.331 0.00 0.00 H+0 HETATM 263 H UNK 0 -6.520 -2.369 -8.261 0.00 0.00 H+0 HETATM 264 H UNK 0 -5.960 -2.459 -6.553 0.00 0.00 H+0 HETATM 265 H UNK 0 -4.182 -4.089 -6.915 0.00 0.00 H+0 HETATM 266 H UNK 0 -5.176 -4.168 -8.401 0.00 0.00 H+0 HETATM 267 H UNK 0 -3.401 -4.091 -8.592 0.00 0.00 H+0 HETATM 268 H UNK 0 8.107 -3.644 -2.550 0.00 0.00 H+0 HETATM 269 H UNK 0 5.969 -5.168 -2.504 0.00 0.00 H+0 HETATM 270 H UNK 0 7.458 -5.802 -3.207 0.00 0.00 H+0 HETATM 271 H UNK 0 6.247 -5.176 -4.343 0.00 0.00 H+0 HETATM 272 H UNK 0 8.840 -2.730 -4.590 0.00 0.00 H+0 HETATM 273 H UNK 0 8.190 -4.233 -5.196 0.00 0.00 H+0 HETATM 274 H UNK 0 7.203 -2.694 -5.277 0.00 0.00 H+0 HETATM 275 H UNK 0 4.065 5.496 -1.489 0.00 0.00 H+0 HETATM 276 H UNK 0 2.172 6.632 -3.367 0.00 0.00 H+0 HETATM 277 H UNK 0 -0.139 7.008 -0.060 0.00 0.00 H+0 HETATM 278 H UNK 0 -1.468 6.192 -2.381 0.00 0.00 H+0 HETATM 279 H UNK 0 -2.439 8.298 -3.145 0.00 0.00 H+0 HETATM 280 H UNK 0 -0.667 8.100 -3.571 0.00 0.00 H+0 HETATM 281 H UNK 0 -1.562 10.207 -2.458 0.00 0.00 H+0 HETATM 282 H UNK 0 -4.367 7.739 -0.501 0.00 0.00 H+0 HETATM 283 H UNK 0 -3.892 4.830 -1.121 0.00 0.00 H+0 HETATM 284 H UNK 0 -6.425 6.453 -1.526 0.00 0.00 H+0 HETATM 285 H UNK 0 -5.819 5.026 -2.410 0.00 0.00 H+0 HETATM 286 H UNK 0 -5.107 6.598 -2.728 0.00 0.00 H+0 HETATM 287 H UNK 0 -5.878 3.939 1.817 0.00 0.00 H+0 HETATM 288 H UNK 0 -8.530 2.161 -0.013 0.00 0.00 H+0 HETATM 289 H UNK 0 -8.646 2.946 2.462 0.00 0.00 H+0 HETATM 290 H UNK 0 -7.798 4.472 1.858 0.00 0.00 H+0 HETATM 291 H UNK 0 -9.468 4.017 1.269 0.00 0.00 H+0 HETATM 292 H UNK 0 -4.484 1.302 -1.761 0.00 0.00 H+0 HETATM 293 H UNK 0 -6.280 -0.768 -1.022 0.00 0.00 H+0 HETATM 294 H UNK 0 -5.086 0.479 1.442 0.00 0.00 H+0 HETATM 295 H UNK 0 -5.746 -1.258 1.217 0.00 0.00 H+0 HETATM 296 H UNK 0 -6.731 0.179 0.931 0.00 0.00 H+0 HETATM 297 H UNK 0 -3.280 -2.879 -1.075 0.00 0.00 H+0 HETATM 298 H UNK 0 -1.544 -2.583 0.240 0.00 0.00 H+0 HETATM 299 H UNK 0 -1.050 -0.370 1.357 0.00 0.00 H+0 HETATM 300 H UNK 0 -2.467 0.207 0.468 0.00 0.00 H+0 HETATM 301 H UNK 0 -2.037 -2.123 2.401 0.00 0.00 H+0 HETATM 302 H UNK 0 -3.551 -1.914 1.414 0.00 0.00 H+0 HETATM 303 H UNK 0 -2.354 -0.317 3.669 0.00 0.00 H+0 HETATM 304 H UNK 0 -4.066 -0.525 3.327 0.00 0.00 H+0 HETATM 305 H UNK 0 0.993 -2.091 -2.141 0.00 0.00 H+0 HETATM 306 H UNK 0 1.403 0.405 -0.646 0.00 0.00 H+0 HETATM 307 H UNK 0 0.995 -1.030 1.250 0.00 0.00 H+0 HETATM 308 H UNK 0 2.729 -0.806 1.124 0.00 0.00 H+0 HETATM 309 H UNK 0 1.185 -3.358 0.308 0.00 0.00 H+0 HETATM 310 H UNK 0 2.007 -3.066 1.829 0.00 0.00 H+0 HETATM 311 H UNK 0 4.093 -3.095 0.751 0.00 0.00 H+0 HETATM 312 H UNK 0 3.183 -4.289 -0.098 0.00 0.00 H+0 HETATM 313 H UNK 0 4.690 0.491 -2.082 0.00 0.00 H+0 HETATM 314 H UNK 0 2.069 1.693 -1.928 0.00 0.00 H+0 HETATM 315 H UNK 0 1.966 2.422 -4.323 0.00 0.00 H+0 HETATM 316 H UNK 0 2.531 0.777 -4.389 0.00 0.00 H+0 HETATM 317 H UNK 0 3.066 4.242 -5.152 0.00 0.00 H+0 HETATM 318 H UNK 0 4.881 5.138 -6.481 0.00 0.00 H+0 HETATM 319 H UNK 0 7.942 4.354 -6.712 0.00 0.00 H+0 HETATM 320 H UNK 0 7.049 1.505 -6.042 0.00 0.00 H+0 HETATM 321 H UNK 0 5.314 0.654 -4.674 0.00 0.00 H+0 HETATM 322 H UNK 0 1.323 4.520 -2.946 0.00 0.00 H+0 HETATM 323 H UNK 0 1.001 5.100 -0.343 0.00 0.00 H+0 HETATM 324 H UNK 0 1.750 3.462 -0.464 0.00 0.00 H+0 HETATM 325 H UNK 0 2.723 4.884 -0.209 0.00 0.00 H+0 CONECT 1 2 156 157 158 CONECT 2 1 3 159 CONECT 3 2 4 99 CONECT 4 3 5 160 CONECT 5 4 6 7 CONECT 6 5 CONECT 7 5 8 9 161 CONECT 8 7 162 163 164 CONECT 9 7 10 165 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 14 166 CONECT 13 12 167 168 169 CONECT 14 12 15 170 CONECT 15 14 16 17 CONECT 16 15 CONECT 17 15 18 96 171 CONECT 18 17 19 172 CONECT 19 18 20 21 CONECT 20 19 CONECT 21 19 22 23 173 CONECT 22 21 174 175 176 CONECT 23 21 24 177 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 178 CONECT 27 26 179 180 181 CONECT 28 26 29 182 CONECT 29 28 30 31 CONECT 30 29 CONECT 31 29 32 93 183 CONECT 32 31 33 184 CONECT 33 32 34 35 CONECT 34 33 CONECT 35 33 36 40 185 CONECT 36 35 37 186 187 CONECT 37 36 38 39 188 CONECT 38 37 189 190 191 CONECT 39 37 192 193 194 CONECT 40 35 41 195 CONECT 41 40 42 43 CONECT 42 41 CONECT 43 41 44 45 196 CONECT 44 43 197 198 199 CONECT 45 43 46 200 CONECT 46 45 47 48 CONECT 47 46 CONECT 48 46 49 50 201 CONECT 49 48 202 203 204 CONECT 50 48 51 205 CONECT 51 50 52 53 CONECT 52 51 CONECT 53 51 54 58 206 CONECT 54 53 55 207 208 CONECT 55 54 56 57 209 CONECT 56 55 210 211 212 CONECT 57 55 213 214 215 CONECT 58 53 59 216 CONECT 59 58 60 61 CONECT 60 59 CONECT 61 59 62 90 217 CONECT 62 61 63 218 CONECT 63 62 64 65 CONECT 64 63 CONECT 65 63 66 69 219 CONECT 66 65 67 220 221 CONECT 67 66 68 222 223 CONECT 68 67 69 224 225 CONECT 69 68 70 65 CONECT 70 69 71 72 CONECT 71 70 CONECT 72 70 73 75 CONECT 73 72 74 226 CONECT 74 73 227 228 229 CONECT 75 72 76 230 CONECT 76 75 77 78 CONECT 77 76 CONECT 78 76 79 231 232 CONECT 79 78 80 81 233 CONECT 80 79 234 CONECT 81 79 82 235 236 CONECT 82 81 83 237 238 CONECT 83 82 84 239 240 CONECT 84 83 85 241 242 CONECT 85 84 86 243 244 CONECT 86 85 87 245 246 CONECT 87 86 88 247 248 CONECT 88 87 89 249 250 CONECT 89 88 251 252 253 CONECT 90 61 91 92 254 CONECT 91 90 255 256 257 CONECT 92 90 258 259 260 CONECT 93 31 94 95 261 CONECT 94 93 262 263 264 CONECT 95 93 265 266 267 CONECT 96 17 97 98 268 CONECT 97 96 269 270 271 CONECT 98 96 272 273 274 CONECT 99 3 100 101 CONECT 100 99 CONECT 101 99 102 275 CONECT 102 101 103 154 276 CONECT 103 102 104 105 CONECT 104 103 CONECT 105 103 106 277 CONECT 106 105 107 109 278 CONECT 107 106 108 279 280 CONECT 108 107 281 CONECT 109 106 110 111 CONECT 110 109 CONECT 111 109 112 282 CONECT 112 111 113 114 283 CONECT 113 112 284 285 286 CONECT 114 112 115 116 CONECT 115 114 CONECT 116 114 117 287 CONECT 117 116 118 120 CONECT 118 117 119 288 CONECT 119 118 289 290 291 CONECT 120 117 121 122 CONECT 121 120 CONECT 122 120 123 292 CONECT 123 122 124 125 293 CONECT 124 123 294 295 296 CONECT 125 123 126 127 CONECT 126 125 CONECT 127 125 128 297 CONECT 128 127 129 132 298 CONECT 129 128 130 299 300 CONECT 130 129 131 301 302 CONECT 131 130 303 304 CONECT 132 128 133 134 CONECT 133 132 CONECT 134 132 135 305 CONECT 135 134 136 139 306 CONECT 136 135 137 307 308 CONECT 137 136 138 309 310 CONECT 138 137 311 312 CONECT 139 135 140 141 CONECT 140 139 CONECT 141 139 142 313 CONECT 142 141 143 151 314 CONECT 143 142 144 315 316 CONECT 144 143 145 150 CONECT 145 144 146 317 CONECT 146 145 147 318 CONECT 147 146 148 149 CONECT 148 147 319 CONECT 149 147 150 320 CONECT 150 149 144 321 CONECT 151 142 152 153 CONECT 152 151 CONECT 153 151 154 CONECT 154 153 155 102 322 CONECT 155 154 323 324 325 CONECT 156 1 CONECT 157 1 CONECT 158 1 CONECT 159 2 CONECT 160 4 CONECT 161 7 CONECT 162 8 CONECT 163 8 CONECT 164 8 CONECT 165 9 CONECT 166 12 CONECT 167 13 CONECT 168 13 CONECT 169 13 CONECT 170 14 CONECT 171 17 CONECT 172 18 CONECT 173 21 CONECT 174 22 CONECT 175 22 CONECT 176 22 CONECT 177 23 CONECT 178 26 CONECT 179 27 CONECT 180 27 CONECT 181 27 CONECT 182 28 CONECT 183 31 CONECT 184 32 CONECT 185 35 CONECT 186 36 CONECT 187 36 CONECT 188 37 CONECT 189 38 CONECT 190 38 CONECT 191 38 CONECT 192 39 CONECT 193 39 CONECT 194 39 CONECT 195 40 CONECT 196 43 CONECT 197 44 CONECT 198 44 CONECT 199 44 CONECT 200 45 CONECT 201 48 CONECT 202 49 CONECT 203 49 CONECT 204 49 CONECT 205 50 CONECT 206 53 CONECT 207 54 CONECT 208 54 CONECT 209 55 CONECT 210 56 CONECT 211 56 CONECT 212 56 CONECT 213 57 CONECT 214 57 CONECT 215 57 CONECT 216 58 CONECT 217 61 CONECT 218 62 CONECT 219 65 CONECT 220 66 CONECT 221 66 CONECT 222 67 CONECT 223 67 CONECT 224 68 CONECT 225 68 CONECT 226 73 CONECT 227 74 CONECT 228 74 CONECT 229 74 CONECT 230 75 CONECT 231 78 CONECT 232 78 CONECT 233 79 CONECT 234 80 CONECT 235 81 CONECT 236 81 CONECT 237 82 CONECT 238 82 CONECT 239 83 CONECT 240 83 CONECT 241 84 CONECT 242 84 CONECT 243 85 CONECT 244 85 CONECT 245 86 CONECT 246 86 CONECT 247 87 CONECT 248 87 CONECT 249 88 CONECT 250 88 CONECT 251 89 CONECT 252 89 CONECT 253 89 CONECT 254 90 CONECT 255 91 CONECT 256 91 CONECT 257 91 CONECT 258 92 CONECT 259 92 CONECT 260 92 CONECT 261 93 CONECT 262 94 CONECT 263 94 CONECT 264 94 CONECT 265 95 CONECT 266 95 CONECT 267 95 CONECT 268 96 CONECT 269 97 CONECT 270 97 CONECT 271 97 CONECT 272 98 CONECT 273 98 CONECT 274 98 CONECT 275 101 CONECT 276 102 CONECT 277 105 CONECT 278 106 CONECT 279 107 CONECT 280 107 CONECT 281 108 CONECT 282 111 CONECT 283 112 CONECT 284 113 CONECT 285 113 CONECT 286 113 CONECT 287 116 CONECT 288 118 CONECT 289 119 CONECT 290 119 CONECT 291 119 CONECT 292 122 CONECT 293 123 CONECT 294 124 CONECT 295 124 CONECT 296 124 CONECT 297 127 CONECT 298 128 CONECT 299 129 CONECT 300 129 CONECT 301 130 CONECT 302 130 CONECT 303 131 CONECT 304 131 CONECT 305 134 CONECT 306 135 CONECT 307 136 CONECT 308 136 CONECT 309 137 CONECT 310 137 CONECT 311 138 CONECT 312 138 CONECT 313 141 CONECT 314 142 CONECT 315 143 CONECT 316 143 CONECT 317 145 CONECT 318 146 CONECT 319 148 CONECT 320 149 CONECT 321 150 CONECT 322 154 CONECT 323 155 CONECT 324 155 CONECT 325 155 MASTER 0 0 0 0 0 0 0 0 325 0 654 0 END SMILES for NP0006110 (Syringopeptin SP508 A)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@@]1([H])N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)\C(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C(\N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]2([H])N(C(=O)C(\N([H])C(=O)C([H])([H])[C@]([H])(O[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])[H])=C(/[H])C([H])([H])[H])C([H])([H])C([H])([H])C2([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])=C(/[H])C([H])([H])[H])[C@@]([H])(OC1=O)C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H])=C(/[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])N([H])[H] INCHI for NP0006110 (Syringopeptin SP508 A)InChI=1S/C104H170N24O27/c1-24-28-29-30-31-32-33-35-67(131)49-78(132)115-70(27-4)103(153)128-45-34-36-77(128)98(148)126-81(55(13)14)101(151)121-73(46-51(5)6)95(145)111-56(15)83(133)108-60(19)89(139)120-74(47-52(7)8)96(146)125-80(54(11)12)100(150)114-58(17)85(135)109-63(22)90(140)124-79(53(9)10)99(149)113-57(16)84(134)107-59(18)86(136)117-69(26-3)92(142)127-82-64(23)155-104(154)75(48-65-37-39-66(130)40-38-65)122-94(144)72(42-44-106)119-93(143)71(41-43-105)118-88(138)62(21)110-91(141)68(25-2)116-87(137)61(20)112-97(147)76(50-129)123-102(82)152/h25-27,37-40,51-64,67,71-77,79-82,129-131H,24,28-36,41-50,105-106H2,1-23H3,(H,107,134)(H,108,133)(H,109,135)(H,110,141)(H,111,145)(H,112,147)(H,113,149)(H,114,150)(H,115,132)(H,116,137)(H,117,136)(H,118,138)(H,119,143)(H,120,139)(H,121,151)(H,122,144)(H,123,152)(H,124,140)(H,125,146)(H,126,148)(H,127,142)/b68-25-,69-26-,70-27-/t56-,57-,58-,59-,60-,61-,62-,63-,64+,67-,71-,72+,73-,74+,75-,76-,77+,79+,80+,81-,82+/m1/s1 3D Structure for NP0006110 (Syringopeptin SP508 A) | |||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms |
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Chemical Formula | C104H170N24O27 | |||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 2188.6450 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 2187.26673 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R)-N-[(2Z)-1-[(2S)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-[(1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3R,6S,9R,12R,15Z,18R,21R,24S,25S)-6,9-bis(2-aminoethyl)-15-ethylidene-21-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-12,18,25-trimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydodecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R)-N-[(2Z)-1-[(2S)-2-{[(1R)-1-{[(1R)-1-{[(1R)-1-{[(1R)-1-[(1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-{[(1R)-1-{[(1Z)-1-{[(3R,6S,9R,12R,15Z,18R,21R,24S,25S)-6,9-bis(2-aminoethyl)-15-ethylidene-21-(hydroxymethyl)-3-[(4-hydroxyphenyl)methyl]-12,18,25-trimethyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-24-yl]carbamoyl}prop-1-en-1-yl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-3-methylbutyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxobut-2-en-2-yl]-3-hydroxydodecanamide | |||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CCCCCCCCCC(O)CC(=O)N\C(=C/C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N\C(=C/C)C(=O)N[C@H]1[C@H](C)OC(=O)C(CC2=CC=C(O)C=C2)NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(C)NC(=O)\C(NC(=O)C(C)NC(=O)C(CO)NC1=O)=C\C | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C104H170N24O27/c1-24-28-29-30-31-32-33-35-67(131)49-78(132)115-70(27-4)103(153)128-45-34-36-77(128)98(148)126-81(55(13)14)101(151)121-73(46-51(5)6)95(145)111-56(15)83(133)108-60(19)89(139)120-74(47-52(7)8)96(146)125-80(54(11)12)100(150)114-58(17)85(135)109-63(22)90(140)124-79(53(9)10)99(149)113-57(16)84(134)107-59(18)86(136)117-69(26-3)92(142)127-82-64(23)155-104(154)75(48-65-37-39-66(130)40-38-65)122-94(144)72(42-44-106)119-93(143)71(41-43-105)118-88(138)62(21)110-91(141)68(25-2)116-87(137)61(20)112-97(147)76(50-129)123-102(82)152/h25-27,37-40,51-64,67,71-77,79-82,129-131H,24,28-36,41-50,105-106H2,1-23H3,(H,107,134)(H,108,133)(H,109,135)(H,110,141)(H,111,145)(H,112,147)(H,113,149)(H,114,150)(H,115,132)(H,116,137)(H,117,136)(H,118,138)(H,119,143)(H,120,139)(H,121,151)(H,122,144)(H,123,152)(H,124,140)(H,125,146)(H,126,148)(H,127,142)/b68-25-,69-26-,70-27-/t56?,57?,58?,59?,60?,61?,62?,63?,64-,67?,71?,72?,73?,74?,75?,76?,77?,79?,80?,81?,82-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | HHDQRNAQGXUIRL-ZUVLKGGBSA-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 | NPA000313 | |||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78445473 | |||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139583175 | |||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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