Showing NP-Card for Anafp (NP0001792)
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| Version | 2.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Created at | 2020-10-21 16:37:53 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Updated at | 2021-07-15 16:45:17 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||
| NP-MRD ID | NP0001792 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Common Name | Anafp | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | 4-({1-[(1-{[1-({1-[(1-{[1-({1-[(5-Amino-1-{[2-carboxy-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}pentyl)-C-hydroxycarbonimidoyl]-4-carbamimidamidobutyl}-C-hydroxycarbonimidoyl)-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-(1H-imidazol-5-yl)ethyl}-C-hydroxycarbonimidoyl)-4-[(2-{[2-({2-[(2-{[2-({2-[(2-{[6-amino-2-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-1-hydroxy-3-sulfanylpropylidene}amino)-1,3-dihydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene)amino]butanoic acid belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Anafp is found in Aspergillus niger. Anafp was first documented in 1999 (PMID: 10512732). Based on a literature review very few articles have been published on 4-({1-[(1-{[1-({1-[(1-{[1-({1-[(5-amino-1-{[2-carboxy-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}pentyl)-C-hydroxycarbonimidoyl]-4-carbamimidamidobutyl}-C-hydroxycarbonimidoyl)-2-(4-hydroxyphenyl)ethyl]-C-hydroxycarbonimidoyl}-2-hydroxypropyl)-C-hydroxycarbonimidoyl]-2-sulfanylethyl}-C-hydroxycarbonimidoyl)-2-hydroxypropyl]-C-hydroxycarbonimidoyl}-2-(C-hydroxycarbonimidoyl)ethyl)-C-hydroxycarbonimidoyl]-2-(1H-imidazol-5-yl)ethyl}-C-hydroxycarbonimidoyl)-4-[(2-{[2-({2-[(2-{[2-({2-[(2-{[6-amino-2-({2-[(2-amino-1-hydroxy-4-methylpentylidene)amino]-1,3-dihydroxypropylidene}amino)-1-hydroxyhexylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene)amino]-1-hydroxyethylidene}amino)-1-hydroxyethylidene]amino}-4-carboxy-1-hydroxybutylidene)amino]-1-hydroxy-3-sulfanylpropylidene}amino)-1,3-dihydroxypropylidene]amino}-1-hydroxy-4-methylpentylidene)amino]butanoic acid. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Structure |  MOL for NP0001792 (Anafp)
Mrv1652307012117063D
311313 0 0 0 0 999 V2000
6.7504 9.2146 1.7164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7078 8.1546 1.5886 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1218 7.9441 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9254 7.0448 2.5580 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9529 5.8882 2.2121 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5156 5.2389 0.9725 N 0 0 2 0 0 0 0 0 0 0 0 0
4.7138 5.0010 3.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9975 5.4460 4.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 3.6505 3.2183 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2664 2.9078 4.3949 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1517 3.6047 5.7432 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9528 4.1758 5.9183 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6913 1.5775 4.5835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9367 1.2582 5.4795 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1271 0.6211 3.6380 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1123 -0.6736 3.4201 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8442 -1.2375 2.2198 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3256 -0.8617 2.0846 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4081 0.5885 1.7290 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6932 0.9083 0.9175 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3447 2.1933 0.2215 N 0 0 1 0 0 0 0 0 0 0 0 0
3.4711 -1.8313 4.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 -2.2477 5.2202 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 -2.5063 3.1507 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0934 -3.8651 3.3930 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4344 -4.2722 1.9384 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4175 -5.4351 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 -6.2639 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8365 -7.3496 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8880 -7.7108 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0824 -8.8467 -1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7329 -6.9437 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5059 -5.8465 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7498 -4.1528 3.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1273 -5.0684 3.0706 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0114 -3.4455 4.7712 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 -3.9715 5.0729 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0310 -5.3652 5.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2048 -5.6369 5.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 -6.2253 5.7867 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5402 -7.5609 5.8663 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5048 -8.4067 4.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6455 -8.0341 4.9584 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5467 -9.1582 4.2169 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4829 -9.3771 2.8051 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3639 -10.1379 2.3427 C 0 0 1 0 0 0 0 0 0 0 0 0
1.0151 -9.5892 2.7938 C 0 0 1 0 0 0 0 0 0 0 0 0
1.4501 -9.8549 4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4732 -10.7211 4.1782 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0815 -9.4732 5.3470 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7114 -8.9731 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7243 -9.6215 2.3692 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7576 -7.7946 1.2575 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7211 -7.1371 0.5822 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8740 -8.1653 0.1885 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.7155 -8.8514 1.5492 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.5069 -6.5147 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 -6.6402 -1.4202 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6111 -5.7483 -1.2358 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9599 -5.1998 -2.4764 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7233 -5.6044 -3.4151 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.7240 -6.9876 -3.3764 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2809 -3.8064 -2.6726 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4316 -2.9316 -2.9643 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5985 -3.3802 -2.4585 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0896 -1.9883 -2.5511 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.5529 -2.0069 -2.2688 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.2605 -0.7445 -2.0117 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4273 0.3096 -2.9967 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3705 -0.0521 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7888 -1.6057 -3.9643 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8580 -2.4762 -4.8562 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3785 -0.2769 -4.2928 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9487 0.1766 -5.5536 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4789 1.2849 -6.2616 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.2958 2.6437 -5.6373 C 0 0 2 0 0 0 0 0 0 0 0 0
-6.7885 3.6749 -6.5895 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2831 3.3473 -7.7109 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5904 5.0014 -6.3244 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3957 0.3871 -5.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7732 0.3789 -6.4524 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9666 0.5357 -4.0994 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9384 0.6644 -3.2132 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5868 0.4500 -4.1550 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1564 1.6883 -4.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 1.8852 -5.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 3.1604 -5.3745 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8026 3.7794 -5.2878 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7077 2.8646 -4.9090 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6501 -0.3734 -2.2411 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0984 -1.4473 -2.5715 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9274 -0.2273 -0.8374 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.5212 -1.0754 0.1994 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1195 -2.2972 0.6001 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.4560 -2.2020 1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4569 -2.2832 2.6924 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4657 -1.8789 0.6255 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8286 -0.1249 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9610 0.3705 1.3667 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8871 0.0438 2.4206 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 0.7857 3.5942 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.3949 2.1426 3.7261 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5009 2.6110 3.4024 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4518 3.1346 4.4179 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1285 4.3213 4.5826 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7817 4.2865 5.9438 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.6471 4.2221 7.3180 S 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 5.6208 4.4111 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4519 6.4941 5.2667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7445 5.7657 3.1865 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2557 6.8430 2.4834 C 0 0 2 0 0 0 0 0 0 0 0 0
0.6656 6.5539 1.4939 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7382 5.9098 1.7335 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 6.9071 0.1428 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9884 6.2797 -0.9591 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3018 6.9364 -2.2062 C 0 0 1 0 0 0 0 0 0 0 0 0
0.1555 7.4346 -3.0192 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9721 6.6935 -3.2405 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9043 7.0417 -4.2674 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6287 8.1521 -5.0842 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.4889 8.8470 -4.8453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3898 8.5287 -3.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7163 5.2247 -0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7480 4.6727 0.1407 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2457 3.8255 -1.1764 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6138 2.6504 -0.3838 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2142 2.7742 0.5083 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9740 2.7660 -0.4014 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1794 3.5078 0.1760 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.3403 3.3711 -0.6325 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3469 4.4053 -0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8121 5.5472 -1.2603 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.7209 4.2469 -0.9185 N 0 0 0 0 0 0 0 0 0 0 0 0
1.7012 1.5646 -1.2015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1583 1.5836 -2.3873 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3905 0.2977 -0.9610 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5276 -0.6266 -2.0492 C 0 0 2 0 0 0 0 0 0 0 0 0
1.6008 -1.8817 -1.8350 C 0 0 1 0 0 0 0 0 0 0 0 0
1.9557 -2.8377 -2.9125 C 0 0 1 0 0 0 0 0 0 0 0 0
1.3677 -2.7033 -4.2636 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0858 -3.1790 -4.2916 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.2125 -4.4685 -4.9883 N 0 0 1 0 0 0 0 0 0 0 0 0
3.8900 -1.3258 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2042 -2.0915 -1.1212 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7558 -1.0627 -3.1151 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0133 -1.6464 -3.4100 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6435 -2.4637 -2.3251 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9880 -2.9959 -2.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2255 -4.0019 -3.3207 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0917 -2.2618 -2.1314 O 0 0 0 0 0 0 0 0 0 0 0 0
6.9404 -0.7977 -4.1083 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8129 -1.4263 -5.0707 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0557 0.4542 -4.0254 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7992 8.1915 2.7920 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3787 8.0228 2.7112 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5384 8.6472 4.0791 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.2919 -0.4692 5.6610 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3598 0.5117 4.1451 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7219 8.7116 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6080 10.0196 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8392 9.5617 2.7441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7366 8.7432 2.1469 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2535 8.8936 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4020 7.1057 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9650 7.9085 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9465 6.5994 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6703 7.3486 3.5760 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0832 6.3977 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2627 4.1992 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6071 5.2472 1.1379 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8054 3.2684 2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4709 2.7175 4.4310 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3199 2.7246 6.4728 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0525 4.2177 5.9199 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8308 4.7497 6.7013 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3908 1.2283 2.7018 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1910 -0.8497 4.2257 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9563 -2.3591 2.4849 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3663 -1.1038 1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8830 -1.1393 3.0114 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7580 -1.4466 1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7225 1.0652 2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6012 1.1085 1.3013 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8476 0.1420 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5542 1.1191 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1827 2.6119 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7638 1.8347 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2414 -2.0402 2.2816 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8103 -4.4108 4.1049 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5614 -3.5799 1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2964 -3.5846 1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3329 -5.9449 2.0591 H 0 0 0 0 0 0 0 0 0 0 0 0
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2.4225 -9.1364 -1.7779 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.6309 -5.2235 0.1489 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
3D MOL for NP0001792 (Anafp)
RDKit 3D
311313 0 0 0 0 0 0 0 0999 V2000
6.7504 9.2146 1.7164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7078 8.1546 1.5886 C 0 0 1 0 0 0 0 0 0 0 0 0
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4.0832 6.3977 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.8088 -0.3019 4.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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159310 1 0
160311 1 0
M END
3D SDF for NP0001792 (Anafp)
Mrv1652307012117063D
311313 0 0 0 0 999 V2000
6.7504 9.2146 1.7164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7078 8.1546 1.5886 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1218 7.9441 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9254 7.0448 2.5580 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9529 5.8882 2.2121 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5156 5.2389 0.9725 N 0 0 2 0 0 0 0 0 0 0 0 0
4.7138 5.0010 3.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9975 5.4460 4.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 3.6505 3.2183 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2664 2.9078 4.3949 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1517 3.6047 5.7432 C 0 0 1 0 0 0 0 0 0 0 0 0
2.9528 4.1758 5.9183 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6913 1.5775 4.5835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9367 1.2582 5.4795 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1271 0.6211 3.6380 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1123 -0.6736 3.4201 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8442 -1.2375 2.2198 C 0 0 1 0 0 0 0 0 0 0 0 0
6.3256 -0.8617 2.0846 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4081 0.5885 1.7290 C 0 0 2 0 0 0 0 0 0 0 0 0
7.6932 0.9083 0.9175 C 0 0 2 0 0 0 0 0 0 0 0 0
7.3447 2.1933 0.2215 N 0 0 1 0 0 0 0 0 0 0 0 0
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-0.3692 -0.8864 6.1133 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 0.1103 6.4868 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0355 -1.1735 5.2929 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8088 -0.3019 4.4999 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
10 13 1 0 0 0 0
13 14 2 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
25 34 1 0 0 0 0
34 35 2 0 0 0 0
34 36 1 0 0 0 0
36 37 1 0 0 0 0
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38 39 2 0 0 0 0
38 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 2 0 0 0 0
42 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
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47 48 1 0 0 0 0
48 49 2 0 0 0 0
48 50 1 0 0 0 0
45 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
54 57 1 0 0 0 0
57 58 2 0 0 0 0
57 59 1 0 0 0 0
59 60 1 0 0 0 0
60 61 1 0 0 0 0
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60 63 1 0 0 0 0
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68 70 1 0 0 0 0
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71 73 1 0 0 0 0
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76 77 1 0 0 0 0
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80 82 1 0 0 0 0
82 83 1 0 0 0 0
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84 85 1 0 0 0 0
85 86 2 0 0 0 0
86 87 1 0 0 0 0
87 88 1 0 0 0 0
88 89 2 0 0 0 0
83 90 1 0 0 0 0
90 91 2 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
95 96 1 0 0 0 0
95 97 2 0 0 0 0
93 98 1 0 0 0 0
98 99 2 0 0 0 0
98100 1 0 0 0 0
100101 1 0 0 0 0
101102 1 0 0 0 0
102103 2 0 0 0 0
102104 1 0 0 0 0
104105 1 0 0 0 0
105106 1 0 0 0 0
106107 1 0 0 0 0
105108 1 0 0 0 0
108109 2 0 0 0 0
108110 1 0 0 0 0
110111 1 0 0 0 0
111112 1 0 0 0 0
112113 2 0 0 0 0
112114 1 0 0 0 0
114115 1 0 0 0 0
115116 1 0 0 0 0
116117 1 0 0 0 0
117118 2 0 0 0 0
118119 1 0 0 0 0
119120 2 0 0 0 0
120121 1 0 0 0 0
120122 1 0 0 0 0
122123 2 0 0 0 0
115124 1 0 0 0 0
124125 2 0 0 0 0
124126 1 0 0 0 0
126127 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
131132 1 0 0 0 0
132133 2 0 0 0 0
132134 1 0 0 0 0
127135 1 0 0 0 0
135136 2 0 0 0 0
135137 1 0 0 0 0
137138 1 0 0 0 0
138139 1 0 0 0 0
139140 1 0 0 0 0
140141 1 0 0 0 0
141142 1 0 0 0 0
142143 1 0 0 0 0
138144 1 0 0 0 0
144145 2 0 0 0 0
144146 1 0 0 0 0
146147 1 0 0 0 0
147148 1 0 0 0 0
148149 1 0 0 0 0
149150 2 0 0 0 0
149151 1 0 0 0 0
147152 1 0 0 0 0
152153 1 0 0 0 0
152154 2 0 0 0 0
111155 1 0 0 0 0
155156 1 0 0 0 0
155157 1 0 0 0 0
101158 1 0 0 0 0
158159 1 0 0 0 0
158160 1 0 0 0 0
33 27 1 0 0 0 0
89 85 1 0 0 0 0
123117 1 0 0 0 0
1161 1 0 0 0 0
1162 1 0 0 0 0
1163 1 0 0 0 0
2164 1 1 0 0 0
3165 1 0 0 0 0
3166 1 0 0 0 0
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4169 1 0 0 0 0
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31196 1 0 0 0 0
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88246 1 0 0 0 0
92247 1 0 0 0 0
93248 1 6 0 0 0
94249 1 0 0 0 0
94250 1 0 0 0 0
96251 1 0 0 0 0
96252 1 0 0 0 0
100253 1 0 0 0 0
101254 1 1 0 0 0
104255 1 0 0 0 0
105256 1 6 0 0 0
106257 1 0 0 0 0
106258 1 0 0 0 0
107259 1 0 0 0 0
110260 1 0 0 0 0
111261 1 1 0 0 0
114262 1 0 0 0 0
115263 1 6 0 0 0
116264 1 0 0 0 0
116265 1 0 0 0 0
118266 1 0 0 0 0
119267 1 0 0 0 0
121268 1 0 0 0 0
122269 1 0 0 0 0
123270 1 0 0 0 0
126271 1 0 0 0 0
127272 1 1 0 0 0
128273 1 0 0 0 0
128274 1 0 0 0 0
129275 1 0 0 0 0
129276 1 0 0 0 0
130277 1 0 0 0 0
130278 1 0 0 0 0
131279 1 0 0 0 0
133280 1 0 0 0 0
134281 1 0 0 0 0
134282 1 0 0 0 0
137283 1 0 0 0 0
138284 1 6 0 0 0
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139286 1 0 0 0 0
140287 1 0 0 0 0
140288 1 0 0 0 0
141289 1 0 0 0 0
141290 1 0 0 0 0
142291 1 0 0 0 0
142292 1 0 0 0 0
143293 1 0 0 0 0
143294 1 0 0 0 0
146295 1 0 0 0 0
147296 1 6 0 0 0
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148298 1 0 0 0 0
151299 1 0 0 0 0
153300 1 0 0 0 0
153301 1 0 0 0 0
155302 1 6 0 0 0
156303 1 0 0 0 0
156304 1 0 0 0 0
156305 1 0 0 0 0
157306 1 0 0 0 0
158307 1 1 0 0 0
159308 1 0 0 0 0
159309 1 0 0 0 0
159310 1 0 0 0 0
160311 1 0 0 0 0
M END
> <DATABASE_ID>
NP0001792
> <DATABASE_NAME>
NP-MRD
> <SMILES>
[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([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])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])S[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])S[H]
> <INCHI_IDENTIFIER>
InChI=1S/C96H151N29O33S2/c1-45(2)30-54(99)79(142)120-66(40-126)90(153)112-56(13-8-10-28-98)83(146)116-62(32-49-15-19-52(130)20-16-49)80(143)107-38-71(133)106-39-72(134)109-58(23-25-73(135)136)84(147)122-68(42-159)92(155)121-67(41-127)91(154)115-61(31-46(3)4)86(149)113-59(24-26-74(137)138)85(148)117-64(34-51-37-104-44-108-51)88(151)118-65(35-70(100)132)89(152)124-77(48(6)129)95(158)123-69(43-160)93(156)125-76(47(5)128)94(157)119-63(33-50-17-21-53(131)22-18-50)87(150)111-57(14-11-29-105-96(102)103)81(144)110-55(12-7-9-27-97)82(145)114-60(78(101)141)36-75(139)140/h15-22,37,44-48,54-69,76-77,126-131,159-160H,7-14,23-36,38-43,97-99H2,1-6H3,(H2,100,132)(H2,101,141)(H,104,108)(H,106,133)(H,107,143)(H,109,134)(H,110,144)(H,111,150)(H,112,153)(H,113,149)(H,114,145)(H,115,154)(H,116,146)(H,117,148)(H,118,151)(H,119,157)(H,120,142)(H,121,155)(H,122,147)(H,123,158)(H,124,152)(H,125,156)(H,135,136)(H,137,138)(H,139,140)(H4,102,103,105)/t47-,48-,54-,55-,56-,57+,58+,59+,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,76+,77+/m1/s1
> <INCHI_KEY>
CESUCQNBEIJPAL-UHFFFAOYSA-N
> <FORMULA>
C96H151N29O33S2
> <MOLECULAR_WEIGHT>
2303.55
> <EXACT_MASS>
2302.047050786
> <JCHEM_ACCEPTOR_COUNT>
40
> <JCHEM_ATOM_COUNT>
311
> <JCHEM_AVERAGE_POLARIZABILITY>
231.31636835675957
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
39
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(4S)-4-{[(1R)-1-{[(1R)-1-{[(2R)-1-{[(1R)-1-{[(2R)-1-[(1-{[(1S)-1-{[(1R)-5-amino-1-{[(1R)-1-carbamoyl-2-carboxyethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2R)-2-[(2R)-2-[(2S)-2-[2-(2-{2-[(2R)-2-{6-amino-2-[(2S)-2-[(2R)-2-amino-4-methylpentanamido]-3-hydroxypropanamido]hexanamido}-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanamido]butanoic acid
> <JCHEM_LOGP>
-21.43323827599835
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
3
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA>
3.5209533042553733
> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0360577756303053
> <JCHEM_PKA_STRONGEST_BASIC>
11.91944052664915
> <JCHEM_POLAR_SURFACE_AREA>
1041.0
> <JCHEM_REFRACTIVITY>
573.5143000000006
> <JCHEM_ROTATABLE_BOND_COUNT>
77
> <JCHEM_RULE_OF_FIVE>
0
> <JCHEM_TRADITIONAL_IUPAC>
(4S)-4-{[(1R)-1-{[(1R)-1-{[(2R)-1-{[(1R)-1-{[(2R)-1-[(1-{[(1S)-1-{[(1R)-5-amino-1-{[(1R)-1-carbamoyl-2-carboxyethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2R)-2-[(2R)-2-[(2S)-2-[2-(2-{2-[(2R)-2-{6-amino-2-[(2S)-2-[(2R)-2-amino-4-methylpentanamido]-3-hydroxypropanamido]hexanamido}-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanamido]butanoic acid
> <JCHEM_VEBER_RULE>
0
$$$$
3D-SDF for NP0001792 (Anafp)
RDKit 3D
311313 0 0 0 0 0 0 0 0999 V2000
6.7504 9.2146 1.7164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7078 8.1546 1.5886 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1218 7.9441 0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9254 7.0448 2.5580 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9529 5.8882 2.2121 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5156 5.2389 0.9725 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7138 5.0010 3.2836 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9975 5.4460 4.4536 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2050 3.6505 3.2183 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2664 2.9078 4.3949 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1517 3.6047 5.7432 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9528 4.1758 5.9183 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6913 1.5775 4.5835 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9367 1.2582 5.4795 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1271 0.6211 3.6380 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1123 -0.6736 3.4201 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8442 -1.2375 2.2198 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3256 -0.8617 2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4081 0.5885 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6932 0.9083 0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3447 2.1933 0.2215 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4711 -1.8313 4.0889 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5878 -2.2477 5.2202 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5919 -2.5063 3.1507 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0934 -3.8651 3.3930 C 0 0 2 0 0 0 0 0 0 0 0 0
2.4344 -4.2722 1.9384 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4175 -5.4351 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6052 -6.2639 1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8365 -7.3496 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8880 -7.7108 -0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0824 -8.8467 -1.1020 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7329 -6.9437 -0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5059 -5.8465 0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7498 -4.1528 3.7093 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1273 -5.0684 3.0706 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0114 -3.4455 4.7712 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2798 -3.9715 5.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0310 -5.3652 5.6609 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2048 -5.6369 5.8691 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1553 -6.2253 5.7867 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5402 -7.5609 5.8663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5048 -8.4067 4.9099 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6455 -8.0341 4.9584 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5467 -9.1582 4.2169 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4829 -9.3771 2.8051 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3639 -10.1379 2.3427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0151 -9.5892 2.7938 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4501 -9.8549 4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4732 -10.7211 4.1782 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0815 -9.4732 5.3470 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7114 -8.9731 2.1263 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7243 -9.6215 2.3692 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7576 -7.7946 1.2575 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7211 -7.1371 0.5822 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.8740 -8.1653 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7155 -8.8514 1.5492 S 0 0 0 0 0 0 0 0 0 0 0 0
-3.5069 -6.5147 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 -6.6402 -1.4202 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6111 -5.7483 -1.2358 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9599 -5.1998 -2.4764 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.7233 -5.6044 -3.4151 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7240 -6.9876 -3.3764 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2809 -3.8064 -2.6726 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4316 -2.9316 -2.9643 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5985 -3.3802 -2.4585 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.0896 -1.9883 -2.5511 C 0 0 2 0 0 0 0 0 0 0 0 0
-8.5529 -2.0069 -2.2688 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.2605 -0.7445 -2.0117 C 0 0 2 0 0 0 0 0 0 0 0 0
-9.4273 0.3096 -2.9967 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3705 -0.0521 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7888 -1.6057 -3.9643 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8580 -2.4762 -4.8562 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3785 -0.2769 -4.2928 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.9487 0.1766 -5.5536 C 0 0 1 0 0 0 0 0 0 0 0 0
-6.4789 1.2849 -6.2616 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2958 2.6437 -5.6373 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7885 3.6749 -6.5895 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.2831 3.3473 -7.7109 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.5904 5.0014 -6.3244 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3957 0.3871 -5.4166 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7732 0.3789 -6.4524 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9666 0.5357 -4.0994 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9384 0.6644 -3.2132 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5868 0.4500 -4.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1564 1.6883 -4.7177 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2253 1.8852 -5.0666 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4149 3.1604 -5.3745 N 0 0 0 0 0 0 0 0 0 0 0 0
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148298 1 0
151299 1 0
153300 1 0
153301 1 0
155302 1 6
156303 1 0
156304 1 0
156305 1 0
157306 1 0
158307 1 1
159308 1 0
159309 1 0
159310 1 0
160311 1 0
M END
PDB for NP0001792 (Anafp)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 6.750 9.215 1.716 0.00 0.00 C+0 HETATM 2 C UNK 0 5.708 8.155 1.589 0.00 0.00 C+0 HETATM 3 C UNK 0 5.122 7.944 0.283 0.00 0.00 C+0 HETATM 4 C UNK 0 5.925 7.045 2.558 0.00 0.00 C+0 HETATM 5 C UNK 0 4.953 5.888 2.212 0.00 0.00 C+0 HETATM 6 N UNK 0 5.516 5.239 0.973 0.00 0.00 N+0 HETATM 7 C UNK 0 4.714 5.001 3.284 0.00 0.00 C+0 HETATM 8 O UNK 0 4.997 5.446 4.454 0.00 0.00 O+0 HETATM 9 N UNK 0 4.205 3.651 3.218 0.00 0.00 N+0 HETATM 10 C UNK 0 4.266 2.908 4.395 0.00 0.00 C+0 HETATM 11 C UNK 0 4.152 3.605 5.743 0.00 0.00 C+0 HETATM 12 O UNK 0 2.953 4.176 5.918 0.00 0.00 O+0 HETATM 13 C UNK 0 3.691 1.577 4.583 0.00 0.00 C+0 HETATM 14 O UNK 0 2.937 1.258 5.479 0.00 0.00 O+0 HETATM 15 N UNK 0 4.127 0.621 3.638 0.00 0.00 N+0 HETATM 16 C UNK 0 4.112 -0.674 3.420 0.00 0.00 C+0 HETATM 17 C UNK 0 4.844 -1.238 2.220 0.00 0.00 C+0 HETATM 18 C UNK 0 6.326 -0.862 2.085 0.00 0.00 C+0 HETATM 19 C UNK 0 6.408 0.589 1.729 0.00 0.00 C+0 HETATM 20 C UNK 0 7.693 0.908 0.918 0.00 0.00 C+0 HETATM 21 N UNK 0 7.345 2.193 0.222 0.00 0.00 N+0 HETATM 22 C UNK 0 3.471 -1.831 4.089 0.00 0.00 C+0 HETATM 23 O UNK 0 3.588 -2.248 5.220 0.00 0.00 O+0 HETATM 24 N UNK 0 2.592 -2.506 3.151 0.00 0.00 N+0 HETATM 25 C UNK 0 2.093 -3.865 3.393 0.00 0.00 C+0 HETATM 26 C UNK 0 2.434 -4.272 1.938 0.00 0.00 C+0 HETATM 27 C UNK 0 2.418 -5.435 1.246 0.00 0.00 C+0 HETATM 28 C UNK 0 3.605 -6.264 1.354 0.00 0.00 C+0 HETATM 29 C UNK 0 3.837 -7.350 0.605 0.00 0.00 C+0 HETATM 30 C UNK 0 2.888 -7.711 -0.344 0.00 0.00 C+0 HETATM 31 O UNK 0 3.082 -8.847 -1.102 0.00 0.00 O+0 HETATM 32 C UNK 0 1.733 -6.944 -0.494 0.00 0.00 C+0 HETATM 33 C UNK 0 1.506 -5.846 0.275 0.00 0.00 C+0 HETATM 34 C UNK 0 0.750 -4.153 3.709 0.00 0.00 C+0 HETATM 35 O UNK 0 0.127 -5.068 3.071 0.00 0.00 O+0 HETATM 36 N UNK 0 -0.011 -3.446 4.771 0.00 0.00 N+0 HETATM 37 C UNK 0 -1.280 -3.971 5.073 0.00 0.00 C+0 HETATM 38 C UNK 0 -1.031 -5.365 5.661 0.00 0.00 C+0 HETATM 39 O UNK 0 0.205 -5.637 5.869 0.00 0.00 O+0 HETATM 40 N UNK 0 -2.155 -6.225 5.787 0.00 0.00 N+0 HETATM 41 C UNK 0 -1.540 -7.561 5.866 0.00 0.00 C+0 HETATM 42 C UNK 0 -2.505 -8.407 4.910 0.00 0.00 C+0 HETATM 43 O UNK 0 -3.646 -8.034 4.958 0.00 0.00 O+0 HETATM 44 N UNK 0 -1.547 -9.158 4.217 0.00 0.00 N+0 HETATM 45 C UNK 0 -1.483 -9.377 2.805 0.00 0.00 C+0 HETATM 46 C UNK 0 -0.364 -10.138 2.343 0.00 0.00 C+0 HETATM 47 C UNK 0 1.015 -9.589 2.794 0.00 0.00 C+0 HETATM 48 C UNK 0 1.450 -9.855 4.141 0.00 0.00 C+0 HETATM 49 O UNK 0 2.473 -10.721 4.178 0.00 0.00 O+0 HETATM 50 O UNK 0 1.081 -9.473 5.347 0.00 0.00 O+0 HETATM 51 C UNK 0 -2.711 -8.973 2.126 0.00 0.00 C+0 HETATM 52 O UNK 0 -3.724 -9.621 2.369 0.00 0.00 O+0 HETATM 53 N UNK 0 -2.758 -7.795 1.258 0.00 0.00 N+0 HETATM 54 C UNK 0 -3.721 -7.137 0.582 0.00 0.00 C+0 HETATM 55 C UNK 0 -4.874 -8.165 0.189 0.00 0.00 C+0 HETATM 56 S UNK 0 -5.715 -8.851 1.549 0.00 0.00 S+0 HETATM 57 C UNK 0 -3.507 -6.515 -0.737 0.00 0.00 C+0 HETATM 58 O UNK 0 -2.491 -6.640 -1.420 0.00 0.00 O+0 HETATM 59 N UNK 0 -4.611 -5.748 -1.236 0.00 0.00 N+0 HETATM 60 C UNK 0 -4.960 -5.200 -2.476 0.00 0.00 C+0 HETATM 61 C UNK 0 -3.723 -5.604 -3.415 0.00 0.00 C+0 HETATM 62 O UNK 0 -3.724 -6.988 -3.376 0.00 0.00 O+0 HETATM 63 C UNK 0 -5.281 -3.806 -2.673 0.00 0.00 C+0 HETATM 64 O UNK 0 -4.432 -2.932 -2.964 0.00 0.00 O+0 HETATM 65 N UNK 0 -6.598 -3.380 -2.458 0.00 0.00 N+0 HETATM 66 C UNK 0 -7.090 -1.988 -2.551 0.00 0.00 C+0 HETATM 67 C UNK 0 -8.553 -2.007 -2.269 0.00 0.00 C+0 HETATM 68 C UNK 0 -9.261 -0.745 -2.012 0.00 0.00 C+0 HETATM 69 C UNK 0 -9.427 0.310 -2.997 0.00 0.00 C+0 HETATM 70 C UNK 0 -8.370 -0.052 -0.865 0.00 0.00 C+0 HETATM 71 C UNK 0 -6.789 -1.606 -3.964 0.00 0.00 C+0 HETATM 72 O UNK 0 -6.858 -2.476 -4.856 0.00 0.00 O+0 HETATM 73 N UNK 0 -6.378 -0.277 -4.293 0.00 0.00 N+0 HETATM 74 C UNK 0 -5.949 0.177 -5.554 0.00 0.00 C+0 HETATM 75 C UNK 0 -6.479 1.285 -6.262 0.00 0.00 C+0 HETATM 76 C UNK 0 -6.296 2.644 -5.637 0.00 0.00 C+0 HETATM 77 C UNK 0 -6.789 3.675 -6.590 0.00 0.00 C+0 HETATM 78 O UNK 0 -7.283 3.347 -7.711 0.00 0.00 O+0 HETATM 79 O UNK 0 -6.590 5.001 -6.324 0.00 0.00 O+0 HETATM 80 C UNK 0 -4.396 0.387 -5.417 0.00 0.00 C+0 HETATM 81 O UNK 0 -3.773 0.379 -6.452 0.00 0.00 O+0 HETATM 82 N UNK 0 -3.967 0.536 -4.099 0.00 0.00 N+0 HETATM 83 C UNK 0 -2.938 0.664 -3.213 0.00 0.00 C+0 HETATM 84 C UNK 0 -1.587 0.450 -4.155 0.00 0.00 C+0 HETATM 85 C UNK 0 -1.156 1.688 -4.718 0.00 0.00 C+0 HETATM 86 C UNK 0 0.225 1.885 -5.067 0.00 0.00 C+0 HETATM 87 N UNK 0 0.415 3.160 -5.375 0.00 0.00 N+0 HETATM 88 C UNK 0 -0.803 3.779 -5.288 0.00 0.00 C+0 HETATM 89 N UNK 0 -1.708 2.865 -4.909 0.00 0.00 N+0 HETATM 90 C UNK 0 -2.650 -0.373 -2.241 0.00 0.00 C+0 HETATM 91 O UNK 0 -2.098 -1.447 -2.571 0.00 0.00 O+0 HETATM 92 N UNK 0 -2.927 -0.227 -0.837 0.00 0.00 N+0 HETATM 93 C UNK 0 -2.521 -1.075 0.199 0.00 0.00 C+0 HETATM 94 C UNK 0 -3.119 -2.297 0.600 0.00 0.00 C+0 HETATM 95 C UNK 0 -4.456 -2.202 1.221 0.00 0.00 C+0 HETATM 96 N UNK 0 -4.457 -2.283 2.692 0.00 0.00 N+0 HETATM 97 O UNK 0 -5.466 -1.879 0.626 0.00 0.00 O+0 HETATM 98 C UNK 0 -2.829 -0.125 1.461 0.00 0.00 C+0 HETATM 99 O UNK 0 -3.961 0.371 1.367 0.00 0.00 O+0 HETATM 100 N UNK 0 -1.887 0.044 2.421 0.00 0.00 N+0 HETATM 101 C UNK 0 -1.919 0.786 3.594 0.00 0.00 C+0 HETATM 102 C UNK 0 -2.395 2.143 3.726 0.00 0.00 C+0 HETATM 103 O UNK 0 -3.501 2.611 3.402 0.00 0.00 O+0 HETATM 104 N UNK 0 -1.452 3.135 4.418 0.00 0.00 N+0 HETATM 105 C UNK 0 -2.128 4.321 4.583 0.00 0.00 C+0 HETATM 106 C UNK 0 -2.782 4.287 5.944 0.00 0.00 C+0 HETATM 107 S UNK 0 -1.647 4.222 7.318 0.00 0.00 S+0 HETATM 108 C UNK 0 -1.390 5.621 4.411 0.00 0.00 C+0 HETATM 109 O UNK 0 -1.452 6.494 5.267 0.00 0.00 O+0 HETATM 110 N UNK 0 -0.745 5.766 3.187 0.00 0.00 N+0 HETATM 111 C UNK 0 -0.256 6.843 2.483 0.00 0.00 C+0 HETATM 112 C UNK 0 0.666 6.554 1.494 0.00 0.00 C+0 HETATM 113 O UNK 0 1.738 5.910 1.734 0.00 0.00 O+0 HETATM 114 N UNK 0 0.323 6.907 0.143 0.00 0.00 N+0 HETATM 115 C UNK 0 0.988 6.280 -0.959 0.00 0.00 C+0 HETATM 116 C UNK 0 1.302 6.936 -2.206 0.00 0.00 C+0 HETATM 117 C UNK 0 0.156 7.435 -3.019 0.00 0.00 C+0 HETATM 118 C UNK 0 -0.972 6.694 -3.240 0.00 0.00 C+0 HETATM 119 C UNK 0 -1.904 7.042 -4.267 0.00 0.00 C+0 HETATM 120 C UNK 0 -1.629 8.152 -5.084 0.00 0.00 C+0 HETATM 121 O UNK 0 -2.546 8.466 -6.096 0.00 0.00 O+0 HETATM 122 C UNK 0 -0.489 8.847 -4.845 0.00 0.00 C+0 HETATM 123 C UNK 0 0.390 8.529 -3.840 0.00 0.00 C+0 HETATM 124 C UNK 0 1.716 5.225 -0.587 0.00 0.00 C+0 HETATM 125 O UNK 0 2.748 4.673 0.141 0.00 0.00 O+0 HETATM 126 N UNK 0 1.246 3.825 -1.176 0.00 0.00 N+0 HETATM 127 C UNK 0 1.614 2.650 -0.384 0.00 0.00 C+0 HETATM 128 C UNK 0 0.214 2.774 0.508 0.00 0.00 C+0 HETATM 129 C UNK 0 -0.974 2.766 -0.401 0.00 0.00 C+0 HETATM 130 C UNK 0 -2.179 3.508 0.176 0.00 0.00 C+0 HETATM 131 N UNK 0 -3.340 3.371 -0.633 0.00 0.00 N+0 HETATM 132 C UNK 0 -4.347 4.405 -0.923 0.00 0.00 C+0 HETATM 133 N UNK 0 -3.812 5.547 -1.260 0.00 0.00 N+0 HETATM 134 N UNK 0 -5.721 4.247 -0.919 0.00 0.00 N+0 HETATM 135 C UNK 0 1.701 1.565 -1.202 0.00 0.00 C+0 HETATM 136 O UNK 0 1.158 1.584 -2.387 0.00 0.00 O+0 HETATM 137 N UNK 0 2.390 0.298 -0.961 0.00 0.00 N+0 HETATM 138 C UNK 0 2.528 -0.627 -2.049 0.00 0.00 C+0 HETATM 139 C UNK 0 1.601 -1.882 -1.835 0.00 0.00 C+0 HETATM 140 C UNK 0 1.956 -2.838 -2.913 0.00 0.00 C+0 HETATM 141 C UNK 0 1.368 -2.703 -4.264 0.00 0.00 C+0 HETATM 142 C UNK 0 -0.086 -3.179 -4.292 0.00 0.00 C+0 HETATM 143 N UNK 0 -0.213 -4.468 -4.988 0.00 0.00 N+0 HETATM 144 C UNK 0 3.890 -1.326 -2.044 0.00 0.00 C+0 HETATM 145 O UNK 0 4.204 -2.091 -1.121 0.00 0.00 O+0 HETATM 146 N UNK 0 4.756 -1.063 -3.115 0.00 0.00 N+0 HETATM 147 C UNK 0 6.013 -1.646 -3.410 0.00 0.00 C+0 HETATM 148 C UNK 0 6.644 -2.464 -2.325 0.00 0.00 C+0 HETATM 149 C UNK 0 7.988 -2.996 -2.624 0.00 0.00 C+0 HETATM 150 O UNK 0 8.226 -4.002 -3.321 0.00 0.00 O+0 HETATM 151 O UNK 0 9.092 -2.262 -2.131 0.00 0.00 O+0 HETATM 152 C UNK 0 6.940 -0.798 -4.108 0.00 0.00 C+0 HETATM 153 N UNK 0 7.813 -1.426 -5.071 0.00 0.00 N+0 HETATM 154 O UNK 0 7.056 0.454 -4.025 0.00 0.00 O+0 HETATM 155 C UNK 0 -0.799 8.191 2.792 0.00 0.00 C+0 HETATM 156 C UNK 0 -2.379 8.023 2.711 0.00 0.00 C+0 HETATM 157 O UNK 0 -0.538 8.647 4.079 0.00 0.00 O+0 HETATM 158 C UNK 0 -0.916 0.518 4.648 0.00 0.00 C+0 HETATM 159 C UNK 0 -1.292 -0.469 5.661 0.00 0.00 C+0 HETATM 160 O UNK 0 0.360 0.512 4.145 0.00 0.00 O+0 HETATM 161 H UNK 0 7.722 8.712 1.379 0.00 0.00 H+0 HETATM 162 H UNK 0 6.608 10.020 0.957 0.00 0.00 H+0 HETATM 163 H UNK 0 6.839 9.562 2.744 0.00 0.00 H+0 HETATM 164 H UNK 0 4.737 8.743 2.147 0.00 0.00 H+0 HETATM 165 H UNK 0 5.253 8.894 -0.335 0.00 0.00 H+0 HETATM 166 H UNK 0 5.402 7.106 -0.335 0.00 0.00 H+0 HETATM 167 H UNK 0 3.965 7.909 0.339 0.00 0.00 H+0 HETATM 168 H UNK 0 6.947 6.599 2.490 0.00 0.00 H+0 HETATM 169 H UNK 0 5.670 7.349 3.576 0.00 0.00 H+0 HETATM 170 H UNK 0 4.083 6.398 1.822 0.00 0.00 H+0 HETATM 171 H UNK 0 5.263 4.199 1.116 0.00 0.00 H+0 HETATM 172 H UNK 0 6.607 5.247 1.138 0.00 0.00 H+0 HETATM 173 H UNK 0 3.805 3.268 2.314 0.00 0.00 H+0 HETATM 174 H UNK 0 5.471 2.717 4.431 0.00 0.00 H+0 HETATM 175 H UNK 0 4.320 2.725 6.473 0.00 0.00 H+0 HETATM 176 H UNK 0 5.053 4.218 5.920 0.00 0.00 H+0 HETATM 177 H UNK 0 2.831 4.750 6.701 0.00 0.00 H+0 HETATM 178 H UNK 0 4.391 1.228 2.702 0.00 0.00 H+0 HETATM 179 H UNK 0 5.191 -0.850 4.226 0.00 0.00 H+0 HETATM 180 H UNK 0 4.956 -2.359 2.485 0.00 0.00 H+0 HETATM 181 H UNK 0 4.366 -1.104 1.280 0.00 0.00 H+0 HETATM 182 H UNK 0 6.883 -1.139 3.011 0.00 0.00 H+0 HETATM 183 H UNK 0 6.758 -1.447 1.278 0.00 0.00 H+0 HETATM 184 H UNK 0 6.723 1.065 2.770 0.00 0.00 H+0 HETATM 185 H UNK 0 5.601 1.109 1.301 0.00 0.00 H+0 HETATM 186 H UNK 0 7.848 0.142 0.166 0.00 0.00 H+0 HETATM 187 H UNK 0 8.554 1.119 1.512 0.00 0.00 H+0 HETATM 188 H UNK 0 8.183 2.612 -0.194 0.00 0.00 H+0 HETATM 189 H UNK 0 6.764 1.835 -0.644 0.00 0.00 H+0 HETATM 190 H UNK 0 2.241 -2.040 2.282 0.00 0.00 H+0 HETATM 191 H UNK 0 2.810 -4.411 4.105 0.00 0.00 H+0 HETATM 192 H UNK 0 1.561 -3.580 1.437 0.00 0.00 H+0 HETATM 193 H UNK 0 3.296 -3.585 1.576 0.00 0.00 H+0 HETATM 194 H UNK 0 4.333 -5.945 2.059 0.00 0.00 H+0 HETATM 195 H UNK 0 4.717 -7.946 0.695 0.00 0.00 H+0 HETATM 196 H UNK 0 2.422 -9.136 -1.778 0.00 0.00 H+0 HETATM 197 H UNK 0 1.026 -7.278 -1.244 0.00 0.00 H+0 HETATM 198 H UNK 0 0.631 -5.223 0.149 0.00 0.00 H+0 HETATM 199 H UNK 0 0.449 -2.633 5.152 0.00 0.00 H+0 HETATM 200 H UNK 0 -2.113 -3.558 5.486 0.00 0.00 H+0 HETATM 201 H UNK 0 -1.692 -4.345 3.968 0.00 0.00 H+0 HETATM 202 H UNK 0 -3.072 -5.904 5.832 0.00 0.00 H+0 HETATM 203 H UNK 0 -1.118 -7.136 4.483 0.00 0.00 H+0 HETATM 204 H UNK 0 -0.618 -7.833 5.974 0.00 0.00 H+0 HETATM 205 H UNK 0 -0.810 -9.604 4.811 0.00 0.00 H+0 HETATM 206 H UNK 0 -0.928 -8.201 2.597 0.00 0.00 H+0 HETATM 207 H UNK 0 -0.336 -11.224 2.671 0.00 0.00 H+0 HETATM 208 H UNK 0 -0.246 -10.158 1.216 0.00 0.00 H+0 HETATM 209 H UNK 0 1.786 -9.695 2.022 0.00 0.00 H+0 HETATM 210 H UNK 0 0.795 -8.437 2.775 0.00 0.00 H+0 HETATM 211 H UNK 0 1.435 -9.192 6.215 0.00 0.00 H+0 HETATM 212 H UNK 0 -1.740 -7.357 1.208 0.00 0.00 H+0 HETATM 213 H UNK 0 -4.325 -6.452 1.275 0.00 0.00 H+0 HETATM 214 H UNK 0 -5.518 -7.576 -0.455 0.00 0.00 H+0 HETATM 215 H UNK 0 -4.291 -8.950 -0.358 0.00 0.00 H+0 HETATM 216 H UNK 0 -6.210 -10.135 1.213 0.00 0.00 H+0 HETATM 217 H UNK 0 -5.346 -5.548 -0.437 0.00 0.00 H+0 HETATM 218 H UNK 0 -5.715 -5.910 -2.950 0.00 0.00 H+0 HETATM 219 H UNK 0 -4.056 -5.311 -4.411 0.00 0.00 H+0 HETATM 220 H UNK 0 -2.834 -5.117 -3.107 0.00 0.00 H+0 HETATM 221 H UNK 0 -3.086 -7.367 -3.993 0.00 0.00 H+0 HETATM 222 H UNK 0 -7.330 -4.077 -2.108 0.00 0.00 H+0 HETATM 223 H UNK 0 -6.454 -1.360 -1.920 0.00 0.00 H+0 HETATM 224 H UNK 0 -8.850 -2.871 -1.697 0.00 0.00 H+0 HETATM 225 H UNK 0 -9.026 -2.326 -3.349 0.00 0.00 H+0 HETATM 226 H UNK 0 -10.187 -0.948 -1.444 0.00 0.00 H+0 HETATM 227 H UNK 0 -9.876 -0.073 -3.967 0.00 0.00 H+0 HETATM 228 H UNK 0 -8.651 1.033 -3.164 0.00 0.00 H+0 HETATM 229 H UNK 0 -10.314 0.980 -2.623 0.00 0.00 H+0 HETATM 230 H UNK 0 -7.590 0.493 -1.380 0.00 0.00 H+0 HETATM 231 H UNK 0 -7.968 -0.870 -0.264 0.00 0.00 H+0 HETATM 232 H UNK 0 -9.021 0.573 -0.310 0.00 0.00 H+0 HETATM 233 H UNK 0 -6.424 0.446 -3.492 0.00 0.00 H+0 HETATM 234 H UNK 0 -5.908 -0.749 -6.271 0.00 0.00 H+0 HETATM 235 H UNK 0 -7.659 1.169 -6.258 0.00 0.00 H+0 HETATM 236 H UNK 0 -6.200 1.336 -7.335 0.00 0.00 H+0 HETATM 237 H UNK 0 -5.305 2.855 -5.289 0.00 0.00 H+0 HETATM 238 H UNK 0 -6.986 2.681 -4.734 0.00 0.00 H+0 HETATM 239 H UNK 0 -6.524 5.381 -5.400 0.00 0.00 H+0 HETATM 240 H UNK 0 -4.920 0.695 -3.399 0.00 0.00 H+0 HETATM 241 H UNK 0 -2.691 1.706 -2.970 0.00 0.00 H+0 HETATM 242 H UNK 0 -0.928 -0.104 -3.577 0.00 0.00 H+0 HETATM 243 H UNK 0 -2.038 -0.244 -4.953 0.00 0.00 H+0 HETATM 244 H UNK 0 0.966 1.111 -4.988 0.00 0.00 H+0 HETATM 245 H UNK 0 1.322 3.680 -5.603 0.00 0.00 H+0 HETATM 246 H UNK 0 -1.002 4.827 -5.491 0.00 0.00 H+0 HETATM 247 H UNK 0 -3.590 0.569 -0.609 0.00 0.00 H+0 HETATM 248 H UNK 0 -1.426 -1.148 0.191 0.00 0.00 H+0 HETATM 249 H UNK 0 -2.415 -2.809 1.344 0.00 0.00 H+0 HETATM 250 H UNK 0 -3.220 -3.038 -0.278 0.00 0.00 H+0 HETATM 251 H UNK 0 -4.147 -3.219 3.042 0.00 0.00 H+0 HETATM 252 H UNK 0 -4.714 -1.541 3.304 0.00 0.00 H+0 HETATM 253 H UNK 0 -0.952 -0.508 2.238 0.00 0.00 H+0 HETATM 254 H UNK 0 -2.972 0.258 4.112 0.00 0.00 H+0 HETATM 255 H UNK 0 -0.499 2.906 4.604 0.00 0.00 H+0 HETATM 256 H UNK 0 -3.025 4.451 3.878 0.00 0.00 H+0 HETATM 257 H UNK 0 -3.289 3.221 5.958 0.00 0.00 H+0 HETATM 258 H UNK 0 -3.611 4.948 6.074 0.00 0.00 H+0 HETATM 259 H UNK 0 -0.395 3.679 7.060 0.00 0.00 H+0 HETATM 260 H UNK 0 -0.487 4.798 2.713 0.00 0.00 H+0 HETATM 261 H UNK 0 -1.316 6.657 1.624 0.00 0.00 H+0 HETATM 262 H UNK 0 -0.474 7.526 0.001 0.00 0.00 H+0 HETATM 263 H UNK 0 -0.084 5.696 -1.374 0.00 0.00 H+0 HETATM 264 H UNK 0 2.053 7.743 -2.125 0.00 0.00 H+0 HETATM 265 H UNK 0 1.857 6.178 -2.904 0.00 0.00 H+0 HETATM 266 H UNK 0 -1.271 5.845 -2.637 0.00 0.00 H+0 HETATM 267 H UNK 0 -2.804 6.454 -4.446 0.00 0.00 H+0 HETATM 268 H UNK 0 -2.259 7.967 -6.987 0.00 0.00 H+0 HETATM 269 H UNK 0 -0.328 9.724 -5.482 0.00 0.00 H+0 HETATM 270 H UNK 0 1.254 9.128 -3.672 0.00 0.00 H+0 HETATM 271 H UNK 0 0.781 3.923 -2.026 0.00 0.00 H+0 HETATM 272 H UNK 0 2.299 2.776 0.427 0.00 0.00 H+0 HETATM 273 H UNK 0 0.366 3.733 1.002 0.00 0.00 H+0 HETATM 274 H UNK 0 0.267 1.928 1.165 0.00 0.00 H+0 HETATM 275 H UNK 0 -0.766 3.262 -1.345 0.00 0.00 H+0 HETATM 276 H UNK 0 -1.281 1.725 -0.571 0.00 0.00 H+0 HETATM 277 H UNK 0 -2.305 3.395 1.228 0.00 0.00 H+0 HETATM 278 H UNK 0 -1.923 4.627 0.065 0.00 0.00 H+0 HETATM 279 H UNK 0 -3.595 2.489 -1.058 0.00 0.00 H+0 HETATM 280 H UNK 0 -4.539 6.322 -1.501 0.00 0.00 H+0 HETATM 281 H UNK 0 -6.221 3.909 -1.799 0.00 0.00 H+0 HETATM 282 H UNK 0 -6.307 4.445 -0.083 0.00 0.00 H+0 HETATM 283 H UNK 0 2.790 0.132 -0.024 0.00 0.00 H+0 HETATM 284 H UNK 0 2.305 -0.247 -3.017 0.00 0.00 H+0 HETATM 285 H UNK 0 1.692 -2.251 -0.855 0.00 0.00 H+0 HETATM 286 H UNK 0 0.556 -1.470 -1.998 0.00 0.00 H+0 HETATM 287 H UNK 0 3.093 -2.783 -3.105 0.00 0.00 H+0 HETATM 288 H UNK 0 1.843 -3.911 -2.579 0.00 0.00 H+0 HETATM 289 H UNK 0 1.915 -3.451 -4.921 0.00 0.00 H+0 HETATM 290 H UNK 0 1.446 -1.746 -4.772 0.00 0.00 H+0 HETATM 291 H UNK 0 -0.361 -3.475 -3.214 0.00 0.00 H+0 HETATM 292 H UNK 0 -0.738 -2.458 -4.679 0.00 0.00 H+0 HETATM 293 H UNK 0 -1.240 -4.553 -5.261 0.00 0.00 H+0 HETATM 294 H UNK 0 0.252 -4.332 -5.946 0.00 0.00 H+0 HETATM 295 H UNK 0 4.453 -0.251 -3.746 0.00 0.00 H+0 HETATM 296 H UNK 0 5.738 -2.513 -4.203 0.00 0.00 H+0 HETATM 297 H UNK 0 6.558 -2.066 -1.329 0.00 0.00 H+0 HETATM 298 H UNK 0 5.962 -3.437 -2.301 0.00 0.00 H+0 HETATM 299 H UNK 0 9.035 -2.098 -1.124 0.00 0.00 H+0 HETATM 300 H UNK 0 8.804 -1.565 -4.872 0.00 0.00 H+0 HETATM 301 H UNK 0 7.377 -1.759 -5.973 0.00 0.00 H+0 HETATM 302 H UNK 0 -0.628 8.987 2.061 0.00 0.00 H+0 HETATM 303 H UNK 0 -2.764 7.494 3.570 0.00 0.00 H+0 HETATM 304 H UNK 0 -2.815 8.968 2.473 0.00 0.00 H+0 HETATM 305 H UNK 0 -2.505 7.355 1.771 0.00 0.00 H+0 HETATM 306 H UNK 0 -1.120 9.392 4.277 0.00 0.00 H+0 HETATM 307 H UNK 0 -0.863 1.503 5.317 0.00 0.00 H+0 HETATM 308 H UNK 0 -0.369 -0.886 6.113 0.00 0.00 H+0 HETATM 309 H UNK 0 -1.851 0.110 6.487 0.00 0.00 H+0 HETATM 310 H UNK 0 -2.035 -1.174 5.293 0.00 0.00 H+0 HETATM 311 H UNK 0 0.809 -0.302 4.500 0.00 0.00 H+0 CONECT 1 2 161 162 163 CONECT 2 1 3 4 164 CONECT 3 2 165 166 167 CONECT 4 2 5 168 169 CONECT 5 4 6 7 170 CONECT 6 5 171 172 CONECT 7 5 8 9 CONECT 8 7 CONECT 9 7 10 173 CONECT 10 9 11 13 174 CONECT 11 10 12 175 176 CONECT 12 11 177 CONECT 13 10 14 15 CONECT 14 13 CONECT 15 13 16 178 CONECT 16 15 17 22 179 CONECT 17 16 18 180 181 CONECT 18 17 19 182 183 CONECT 19 18 20 184 185 CONECT 20 19 21 186 187 CONECT 21 20 188 189 CONECT 22 16 23 24 CONECT 23 22 CONECT 24 22 25 190 CONECT 25 24 26 34 191 CONECT 26 25 27 192 193 CONECT 27 26 28 33 CONECT 28 27 29 194 CONECT 29 28 30 195 CONECT 30 29 31 32 CONECT 31 30 196 CONECT 32 30 33 197 CONECT 33 32 27 198 CONECT 34 25 35 36 CONECT 35 34 CONECT 36 34 37 199 CONECT 37 36 38 200 201 CONECT 38 37 39 40 CONECT 39 38 CONECT 40 38 41 202 CONECT 41 40 42 203 204 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 205 CONECT 45 44 46 51 206 CONECT 46 45 47 207 208 CONECT 47 46 48 209 210 CONECT 48 47 49 50 CONECT 49 48 CONECT 50 48 211 CONECT 51 45 52 53 CONECT 52 51 CONECT 53 51 54 212 CONECT 54 53 55 57 213 CONECT 55 54 56 214 215 CONECT 56 55 216 CONECT 57 54 58 59 CONECT 58 57 CONECT 59 57 60 217 CONECT 60 59 61 63 218 CONECT 61 60 62 219 220 CONECT 62 61 221 CONECT 63 60 64 65 CONECT 64 63 CONECT 65 63 66 222 CONECT 66 65 67 71 223 CONECT 67 66 68 224 225 CONECT 68 67 69 70 226 CONECT 69 68 227 228 229 CONECT 70 68 230 231 232 CONECT 71 66 72 73 CONECT 72 71 CONECT 73 71 74 233 CONECT 74 73 75 80 234 CONECT 75 74 76 235 236 CONECT 76 75 77 237 238 CONECT 77 76 78 79 CONECT 78 77 CONECT 79 77 239 CONECT 80 74 81 82 CONECT 81 80 CONECT 82 80 83 240 CONECT 83 82 84 90 241 CONECT 84 83 85 242 243 CONECT 85 84 86 89 CONECT 86 85 87 244 CONECT 87 86 88 245 CONECT 88 87 89 246 CONECT 89 88 85 CONECT 90 83 91 92 CONECT 91 90 CONECT 92 90 93 247 CONECT 93 92 94 98 248 CONECT 94 93 95 249 250 CONECT 95 94 96 97 CONECT 96 95 251 252 CONECT 97 95 CONECT 98 93 99 100 CONECT 99 98 CONECT 100 98 101 253 CONECT 101 100 102 158 254 CONECT 102 101 103 104 CONECT 103 102 CONECT 104 102 105 255 CONECT 105 104 106 108 256 CONECT 106 105 107 257 258 CONECT 107 106 259 CONECT 108 105 109 110 CONECT 109 108 CONECT 110 108 111 260 CONECT 111 110 112 155 261 CONECT 112 111 113 114 CONECT 113 112 CONECT 114 112 115 262 CONECT 115 114 116 124 263 CONECT 116 115 117 264 265 CONECT 117 116 118 123 CONECT 118 117 119 266 CONECT 119 118 120 267 CONECT 120 119 121 122 CONECT 121 120 268 CONECT 122 120 123 269 CONECT 123 122 117 270 CONECT 124 115 125 126 CONECT 125 124 CONECT 126 124 127 271 CONECT 127 126 128 135 272 CONECT 128 127 129 273 274 CONECT 129 128 130 275 276 CONECT 130 129 131 277 278 CONECT 131 130 132 279 CONECT 132 131 133 134 CONECT 133 132 280 CONECT 134 132 281 282 CONECT 135 127 136 137 CONECT 136 135 CONECT 137 135 138 283 CONECT 138 137 139 144 284 CONECT 139 138 140 285 286 CONECT 140 139 141 287 288 CONECT 141 140 142 289 290 CONECT 142 141 143 291 292 CONECT 143 142 293 294 CONECT 144 138 145 146 CONECT 145 144 CONECT 146 144 147 295 CONECT 147 146 148 152 296 CONECT 148 147 149 297 298 CONECT 149 148 150 151 CONECT 150 149 CONECT 151 149 299 CONECT 152 147 153 154 CONECT 153 152 300 301 CONECT 154 152 CONECT 155 111 156 157 302 CONECT 156 155 303 304 305 CONECT 157 155 306 CONECT 158 101 159 160 307 CONECT 159 158 308 309 310 CONECT 160 158 311 CONECT 161 1 CONECT 162 1 CONECT 163 1 CONECT 164 2 CONECT 165 3 CONECT 166 3 CONECT 167 3 CONECT 168 4 CONECT 169 4 CONECT 170 5 CONECT 171 6 CONECT 172 6 CONECT 173 9 CONECT 174 10 CONECT 175 11 CONECT 176 11 CONECT 177 12 CONECT 178 15 CONECT 179 16 CONECT 180 17 CONECT 181 17 CONECT 182 18 CONECT 183 18 CONECT 184 19 CONECT 185 19 CONECT 186 20 CONECT 187 20 CONECT 188 21 CONECT 189 21 CONECT 190 24 CONECT 191 25 CONECT 192 26 CONECT 193 26 CONECT 194 28 CONECT 195 29 CONECT 196 31 CONECT 197 32 CONECT 198 33 CONECT 199 36 CONECT 200 37 CONECT 201 37 CONECT 202 40 CONECT 203 41 CONECT 204 41 CONECT 205 44 CONECT 206 45 CONECT 207 46 CONECT 208 46 CONECT 209 47 CONECT 210 47 CONECT 211 50 CONECT 212 53 CONECT 213 54 CONECT 214 55 CONECT 215 55 CONECT 216 56 CONECT 217 59 CONECT 218 60 CONECT 219 61 CONECT 220 61 CONECT 221 62 CONECT 222 65 CONECT 223 66 CONECT 224 67 CONECT 225 67 CONECT 226 68 CONECT 227 69 CONECT 228 69 CONECT 229 69 CONECT 230 70 CONECT 231 70 CONECT 232 70 CONECT 233 73 CONECT 234 74 CONECT 235 75 CONECT 236 75 CONECT 237 76 CONECT 238 76 CONECT 239 79 CONECT 240 82 CONECT 241 83 CONECT 242 84 CONECT 243 84 CONECT 244 86 CONECT 245 87 CONECT 246 88 CONECT 247 92 CONECT 248 93 CONECT 249 94 CONECT 250 94 CONECT 251 96 CONECT 252 96 CONECT 253 100 CONECT 254 101 CONECT 255 104 CONECT 256 105 CONECT 257 106 CONECT 258 106 CONECT 259 107 CONECT 260 110 CONECT 261 111 CONECT 262 114 CONECT 263 115 CONECT 264 116 CONECT 265 116 CONECT 266 118 CONECT 267 119 CONECT 268 121 CONECT 269 122 CONECT 270 123 CONECT 271 126 CONECT 272 127 CONECT 273 128 CONECT 274 128 CONECT 275 129 CONECT 276 129 CONECT 277 130 CONECT 278 130 CONECT 279 131 CONECT 280 133 CONECT 281 134 CONECT 282 134 CONECT 283 137 CONECT 284 138 CONECT 285 139 CONECT 286 139 CONECT 287 140 CONECT 288 140 CONECT 289 141 CONECT 290 141 CONECT 291 142 CONECT 292 142 CONECT 293 143 CONECT 294 143 CONECT 295 146 CONECT 296 147 CONECT 297 148 CONECT 298 148 CONECT 299 151 CONECT 300 153 CONECT 301 153 CONECT 302 155 CONECT 303 156 CONECT 304 156 CONECT 305 156 CONECT 306 157 CONECT 307 158 CONECT 308 159 CONECT 309 159 CONECT 310 159 CONECT 311 160 MASTER 0 0 0 0 0 0 0 0 311 0 626 0 END SMILES for NP0001792 (Anafp)[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)C([H])([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])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[C@@]([H])(C(=O)N([H])[H])C([H])([H])C(=O)O[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=N[H])N([H])[H])C([H])([H])C1=C([H])C([H])=C(O[H])C([H])=C1[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])S[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H])C([H])([H])C1=C([H])N([H])C([H])=N1)C([H])([H])C([H])([H])C(=O)O[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])S[H] INCHI for NP0001792 (Anafp)InChI=1S/C96H151N29O33S2/c1-45(2)30-54(99)79(142)120-66(40-126)90(153)112-56(13-8-10-28-98)83(146)116-62(32-49-15-19-52(130)20-16-49)80(143)107-38-71(133)106-39-72(134)109-58(23-25-73(135)136)84(147)122-68(42-159)92(155)121-67(41-127)91(154)115-61(31-46(3)4)86(149)113-59(24-26-74(137)138)85(148)117-64(34-51-37-104-44-108-51)88(151)118-65(35-70(100)132)89(152)124-77(48(6)129)95(158)123-69(43-160)93(156)125-76(47(5)128)94(157)119-63(33-50-17-21-53(131)22-18-50)87(150)111-57(14-11-29-105-96(102)103)81(144)110-55(12-7-9-27-97)82(145)114-60(78(101)141)36-75(139)140/h15-22,37,44-48,54-69,76-77,126-131,159-160H,7-14,23-36,38-43,97-99H2,1-6H3,(H2,100,132)(H2,101,141)(H,104,108)(H,106,133)(H,107,143)(H,109,134)(H,110,144)(H,111,150)(H,112,153)(H,113,149)(H,114,145)(H,115,154)(H,116,146)(H,117,148)(H,118,151)(H,119,157)(H,120,142)(H,121,155)(H,122,147)(H,123,158)(H,124,152)(H,125,156)(H,135,136)(H,137,138)(H,139,140)(H4,102,103,105)/t47-,48-,54-,55-,56-,57+,58+,59+,60-,61-,62-,63+,64-,65-,66+,67-,68-,69+,76+,77+/m1/s1 3D Structure for NP0001792 (Anafp) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Synonyms |
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| Chemical Formula | C96H151N29O33S2 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Average Mass | 2303.5500 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Monoisotopic Mass | 2302.04705 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||
| IUPAC Name | (4S)-4-{[(1R)-1-{[(1R)-1-{[(2R)-1-{[(1R)-1-{[(2R)-1-[(1-{[(1S)-1-{[(1R)-5-amino-1-{[(1R)-1-carbamoyl-2-carboxyethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2R)-2-[(2R)-2-[(2S)-2-[2-(2-{2-[(2R)-2-{6-amino-2-[(2S)-2-[(2R)-2-amino-4-methylpentanamido]-3-hydroxypropanamido]hexanamido}-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanamido]butanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Traditional Name | (4S)-4-{[(1R)-1-{[(1R)-1-{[(2R)-1-{[(1R)-1-{[(2R)-1-[(1-{[(1S)-1-{[(1R)-5-amino-1-{[(1R)-1-carbamoyl-2-carboxyethyl]carbamoyl}pentyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl)carbamoyl]-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}-2-carbamoylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2R)-2-[(2R)-2-[(2S)-2-[2-(2-{2-[(2R)-2-{6-amino-2-[(2S)-2-[(2R)-2-amino-4-methylpentanamido]-3-hydroxypropanamido]hexanamido}-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-4-carboxybutanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanamido]butanoic acid | |||||||||||||||||||||||||||||||||||||||||||||||||||
| CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| SMILES | CC(C)CC(N)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NCC(=O)NCC(=O)NC(CCC(O)=O)C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CCC(O)=O)C(=O)NC(CC1=CNC=N1)C(=O)NC(CC(N)=O)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)NC(CCCNC(N)=N)C(=O)NC(CCCCN)C(=O)NC(CC(O)=O)C(N)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Identifier | InChI=1S/C96H151N29O33S2/c1-45(2)30-54(99)79(142)120-66(40-126)90(153)112-56(13-8-10-28-98)83(146)116-62(32-49-15-19-52(130)20-16-49)80(143)107-38-71(133)106-39-72(134)109-58(23-25-73(135)136)84(147)122-68(42-159)92(155)121-67(41-127)91(154)115-61(31-46(3)4)86(149)113-59(24-26-74(137)138)85(148)117-64(34-51-37-104-44-108-51)88(151)118-65(35-70(100)132)89(152)124-77(48(6)129)95(158)123-69(43-160)93(156)125-76(47(5)128)94(157)119-63(33-50-17-21-53(131)22-18-50)87(150)111-57(14-11-29-105-96(102)103)81(144)110-55(12-7-9-27-97)82(145)114-60(78(101)141)36-75(139)140/h15-22,37,44-48,54-69,76-77,126-131,159-160H,7-14,23-36,38-43,97-99H2,1-6H3,(H2,100,132)(H2,101,141)(H,104,108)(H,106,133)(H,107,143)(H,109,134)(H,110,144)(H,111,150)(H,112,153)(H,113,149)(H,114,145)(H,115,154)(H,116,146)(H,117,148)(H,118,151)(H,119,157)(H,120,142)(H,121,155)(H,122,147)(H,123,158)(H,124,152)(H,125,156)(H,135,136)(H,137,138)(H,139,140)(H4,102,103,105) | |||||||||||||||||||||||||||||||||||||||||||||||||||
| InChI Key | CESUCQNBEIJPAL-UHFFFAOYSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Species of Origin |
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| Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | Belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Kingdom | Organic compounds | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Super Class | Organic Polymers | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Class | Polypeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Sub Class | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Direct Parent | Polypeptides | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Alternative Parents |
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| Substituents |
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| Molecular Framework | Aromatic 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 | NPA002063 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Chemspider ID | 78444620 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PubChem Compound | 139583672 | |||||||||||||||||||||||||||||||||||||||||||||||||||
| PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||
| References | ||||||||||||||||||||||||||||||||||||||||||||||||||||
| General References |
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