Showing NP-Card for Nudicaucin A (NP0141200)
Record Information | ||||||||||||||||
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Version | 1.0 | |||||||||||||||
Created at | 2022-06-29 22:17:17 UTC | |||||||||||||||
Updated at | 2022-06-29 22:17:17 UTC | |||||||||||||||
NP-MRD ID | NP0141200 | |||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||
Natural Product Identification | ||||||||||||||||
Common Name | Nudicaucin A | |||||||||||||||
Description | Based on a literature review very few articles have been published on Nudicaucin A. | |||||||||||||||
Structure | MOL for NP0141200 (Nudicaucin A)Mrv1652306302200172D 63 70 0 0 1 0 999 V2000 4.4270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1105 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5230 3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3480 3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3480 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9645 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5520 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0270 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7895 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 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 14 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 1 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 27 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 32 34 1 6 0 0 0 34 35 1 0 0 0 0 31 36 1 1 0 0 0 30 37 1 6 0 0 0 29 38 1 1 0 0 0 15 39 1 6 0 0 0 10 40 1 1 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 5 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 44 49 1 0 0 0 0 47 50 1 6 0 0 0 46 51 1 1 0 0 0 52 51 1 6 0 0 0 52 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 56 57 1 0 0 0 0 52 57 1 0 0 0 0 56 58 1 6 0 0 0 58 59 1 0 0 0 0 55 60 1 1 0 0 0 54 61 1 6 0 0 0 53 62 1 1 0 0 0 45 63 1 6 0 0 0 M END 3D MOL for NP0141200 (Nudicaucin A)RDKit 3D 135142 0 0 0 0 0 0 0 0999 V2000 -7.2331 -0.0834 -4.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4597 0.4240 -3.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0007 1.4621 -2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9034 1.7085 -1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5697 0.3380 -0.5255 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9404 -0.2736 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3328 -1.3015 -0.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7869 0.3746 0.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0712 -0.0995 0.8640 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0181 0.8744 0.4638 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2793 0.3257 0.4685 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.2759 1.3511 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2677 2.4629 0.8189 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7094 -0.1345 1.8444 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.8153 -0.9658 1.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6365 -0.9077 2.5490 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.9735 -0.9923 3.9009 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2751 -0.2836 2.3548 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2984 -1.0806 2.9204 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 0.5798 0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 -0.2909 1.1067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7776 -0.0940 0.0340 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4691 1.3484 -0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4066 -0.7115 -1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7097 -1.4368 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2629 -1.7217 -1.9373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6768 -0.7669 -0.9191 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8048 -0.8482 -0.8039 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3297 -2.2115 -1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 0.0862 -1.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9127 0.0829 -1.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4938 0.3578 -0.4287 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7795 -0.2139 -0.4581 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7986 0.7018 -0.3675 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6128 0.6938 -1.5142 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0953 1.9994 -1.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7540 2.4701 -0.3689 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8945 3.3864 0.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 1.3316 0.6030 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0181 0.5667 0.0694 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1120 0.5265 0.9182 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2546 1.0894 0.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.4958 -0.7531 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0541 1.0747 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3495 2.4493 -1.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7477 -0.9942 -0.7575 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9416 -1.4574 -0.2107 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6118 -1.6445 -0.0392 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4572 -1.4783 -0.8021 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3977 -0.9092 1.2738 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4650 -1.0318 2.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7173 0.5159 0.8125 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1506 0.8632 2.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7462 -0.2361 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 0.7057 1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3131 -1.5789 1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2546 -0.2920 0.5013 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5461 -0.9305 1.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8817 -0.3626 1.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4804 -0.8842 0.3281 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9623 -2.3033 0.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 -0.5278 -1.4714 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0351 0.0364 -2.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8475 -0.8298 -4.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2627 0.2231 -4.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8719 1.0235 -1.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2750 2.3892 -2.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0383 2.1957 -1.5882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 2.3351 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3352 -1.0204 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2840 -0.5317 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3016 0.9090 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0710 1.6773 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1835 2.7601 1.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0728 0.7516 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1471 -0.9945 0.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6216 -1.9287 2.1173 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9078 -1.3758 3.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2956 0.7279 2.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9147 -1.6372 2.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7478 0.3273 1.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8302 1.6665 0.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -0.1391 2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 -1.3504 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7555 1.7803 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 1.6047 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 1.9100 0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2009 -1.8798 -2.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0207 -2.7716 -1.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 -1.4694 -2.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8945 0.2449 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 -3.0195 -0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -2.4472 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4262 -2.2514 -1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1122 -0.1882 -2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 1.1095 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2628 0.9232 -2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3847 -0.8233 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5473 1.4733 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3271 1.7225 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3146 2.6899 -1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8870 1.9700 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7186 2.9865 -0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4101 4.0245 0.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2957 1.7136 1.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8689 1.1062 1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8104 0.8294 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 0.6708 -2.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9823 0.8695 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1314 2.8404 -1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6954 -1.3364 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3518 -0.7253 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8752 -2.7092 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2623 -2.2565 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5017 -1.3624 1.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1889 -1.4408 2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0548 -0.5557 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 0.1435 2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 1.0522 2.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 0.2087 2.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5168 1.6142 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8136 -1.5337 2.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1604 -1.8453 0.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -2.3705 1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9356 0.7963 0.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5217 -2.0376 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9776 -0.6658 2.6157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 -0.8354 2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 0.7146 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 -3.0512 0.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2661 -2.2968 1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8643 -2.5854 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -1.5385 -1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3759 0.9100 -3.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 -0.7252 -3.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 55 54 1 0 54 56 1 0 54 32 1 0 32 31 1 0 31 30 1 0 30 28 1 0 28 29 1 6 28 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 1 60 27 1 0 27 26 1 0 26 25 1 0 25 24 2 0 24 62 1 0 62 63 1 0 63 2 1 0 2 1 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 20 1 0 20 21 1 0 21 22 1 0 22 23 1 6 5 6 1 1 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 11 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 43 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 39 52 1 0 52 53 1 0 57 54 1 0 22 60 1 0 18 9 1 0 52 34 1 0 27 28 1 0 22 24 1 0 50 41 1 0 5 62 1 0 55119 1 0 55120 1 0 55121 1 0 56122 1 0 56123 1 0 56124 1 0 32 99 1 1 31 97 1 0 31 98 1 0 30 95 1 0 30 96 1 0 29 92 1 0 29 93 1 0 29 94 1 0 57125 1 6 58126 1 0 58127 1 0 59128 1 0 59129 1 0 61130 1 0 61131 1 0 61132 1 0 27 91 1 6 26 89 1 0 26 90 1 0 25 88 1 0 62133 1 6 63134 1 0 63135 1 0 1 64 1 0 1 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 20 81 1 0 20 82 1 0 21 83 1 0 21 84 1 0 23 85 1 0 23 86 1 0 23 87 1 0 9 70 1 6 11 71 1 6 12 72 1 0 12 73 1 0 13 74 1 0 14 75 1 1 15 76 1 0 16 77 1 6 17 78 1 0 18 79 1 1 19 80 1 0 34100 1 1 36101 1 0 36102 1 0 37103 1 6 38104 1 0 39105 1 1 41106 1 1 43107 1 6 44108 1 0 44109 1 0 45110 1 0 46111 1 6 47112 1 0 48113 1 1 49114 1 0 50115 1 1 51116 1 0 52117 1 1 53118 1 0 M END 3D SDF for NP0141200 (Nudicaucin A)Mrv1652306302200172D 63 70 0 0 1 0 999 V2000 4.4270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 2.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1105 3.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5230 3.9849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3480 3.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7605 3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3480 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 4.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9645 -1.0164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5520 -1.7309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0270 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4395 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0270 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7895 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 1 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 10 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 14 1 6 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 1 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 27 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 28 33 1 0 0 0 0 32 34 1 6 0 0 0 34 35 1 0 0 0 0 31 36 1 1 0 0 0 30 37 1 6 0 0 0 29 38 1 1 0 0 0 15 39 1 6 0 0 0 10 40 1 1 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 5 43 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 44 49 1 0 0 0 0 47 50 1 6 0 0 0 46 51 1 1 0 0 0 52 51 1 6 0 0 0 52 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 56 57 1 0 0 0 0 52 57 1 0 0 0 0 56 58 1 6 0 0 0 58 59 1 0 0 0 0 55 60 1 1 0 0 0 54 61 1 6 0 0 0 53 62 1 1 0 0 0 45 63 1 6 0 0 0 M END > <DATABASE_ID> NP0141200 > <DATABASE_NAME> NP-MRD > <SMILES> CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O > <INCHI_IDENTIFIER> InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-40-35(55)33(53)31(51)26(19-48)60-40)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)61-38-36(56)37(24(49)20-58-38)62-39-34(54)32(52)30(50)25(18-47)59-39/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44+,45+,46-/m0/s1 > <INCHI_KEY> WXWFCULTYPZHJI-LUKOXMCCSA-N > <FORMULA> C46H72O17 > <MOLECULAR_WEIGHT> 897.065 > <EXACT_MASS> 896.476950858 $$$$ PDB for NP0141200 (Nudicaucin A)HEADER PROTEIN 30-JUN-22 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 30-JUN-22 0 HETATM 1 C UNK 0 8.264 -0.564 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 9.034 0.770 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 9.804 -0.564 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 11.344 -0.564 0.000 0.00 0.00 C+0 HETATM 5 C UNK 0 12.114 0.770 0.000 0.00 0.00 C+0 HETATM 6 C UNK 0 11.344 2.104 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 9.804 2.104 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 9.034 3.437 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 7.494 3.437 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 6.724 2.104 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 7.494 0.770 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 6.724 -0.564 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 5.184 -0.564 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 4.414 0.770 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 5.184 2.104 0.000 0.00 0.00 C+0 HETATM 16 C UNK 0 4.414 3.437 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 2.874 3.437 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 2.104 2.104 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 2.874 0.770 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 2.104 -0.564 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 0.564 -0.564 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -0.206 -1.897 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -0.206 0.770 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 0.564 2.104 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 1.334 3.437 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 2.104 4.771 0.000 0.00 0.00 O+0 HETATM 27 O UNK 0 -0.206 3.437 0.000 0.00 0.00 O+0 HETATM 28 C UNK 0 -0.976 4.771 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -0.206 6.105 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -0.976 7.438 0.000 0.00 0.00 C+0 HETATM 31 C UNK 0 -2.516 7.438 0.000 0.00 0.00 C+0 HETATM 32 C UNK 0 -3.286 6.105 0.000 0.00 0.00 C+0 HETATM 33 O UNK 0 -2.516 4.771 0.000 0.00 0.00 O+0 HETATM 34 C UNK 0 -4.826 6.105 0.000 0.00 0.00 C+0 HETATM 35 O UNK 0 -5.596 7.438 0.000 0.00 0.00 O+0 HETATM 36 O UNK 0 -3.286 8.772 0.000 0.00 0.00 O+0 HETATM 37 O UNK 0 -0.206 8.772 0.000 0.00 0.00 O+0 HETATM 38 O UNK 0 1.334 6.105 0.000 0.00 0.00 O+0 HETATM 39 C UNK 0 5.954 3.437 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 6.885 3.635 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 11.397 3.643 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 12.650 2.920 0.000 0.00 0.00 C+0 HETATM 43 O UNK 0 13.654 0.770 0.000 0.00 0.00 O+0 HETATM 44 C UNK 0 14.424 -0.564 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 15.964 -0.564 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 16.734 -1.897 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 15.964 -3.231 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 14.424 -3.231 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 13.654 -1.897 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 16.734 -4.565 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 18.274 -1.897 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 19.044 -0.564 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 20.584 -0.564 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 21.354 0.770 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 20.584 2.104 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 19.044 2.104 0.000 0.00 0.00 C+0 HETATM 57 O UNK 0 18.274 0.770 0.000 0.00 0.00 O+0 HETATM 58 C UNK 0 18.274 3.437 0.000 0.00 0.00 C+0 HETATM 59 O UNK 0 16.734 3.437 0.000 0.00 0.00 O+0 HETATM 60 O UNK 0 21.354 3.437 0.000 0.00 0.00 O+0 HETATM 61 O UNK 0 22.894 0.770 0.000 0.00 0.00 O+0 HETATM 62 O UNK 0 21.354 -1.897 0.000 0.00 0.00 O+0 HETATM 63 O UNK 0 16.734 0.770 0.000 0.00 0.00 O+0 CONECT 1 2 CONECT 2 1 3 7 11 CONECT 3 2 4 CONECT 4 3 5 CONECT 5 4 6 43 CONECT 6 5 7 41 42 CONECT 7 6 2 8 CONECT 8 7 9 CONECT 9 8 10 CONECT 10 9 11 15 40 CONECT 11 10 2 12 CONECT 12 11 13 CONECT 13 12 14 CONECT 14 13 15 19 CONECT 15 14 10 16 39 CONECT 16 15 17 CONECT 17 16 18 CONECT 18 17 19 24 25 CONECT 19 18 14 20 CONECT 20 19 21 CONECT 21 20 22 23 CONECT 22 21 CONECT 23 21 24 CONECT 24 23 18 CONECT 25 18 26 27 CONECT 26 25 CONECT 27 25 28 CONECT 28 27 29 33 CONECT 29 28 30 38 CONECT 30 29 31 37 CONECT 31 30 32 36 CONECT 32 31 33 34 CONECT 33 32 28 CONECT 34 32 35 CONECT 35 34 CONECT 36 31 CONECT 37 30 CONECT 38 29 CONECT 39 15 CONECT 40 10 CONECT 41 6 CONECT 42 6 CONECT 43 5 44 CONECT 44 43 45 49 CONECT 45 44 46 63 CONECT 46 45 47 51 CONECT 47 46 48 50 CONECT 48 47 49 CONECT 49 48 44 CONECT 50 47 CONECT 51 46 52 CONECT 52 51 53 57 CONECT 53 52 54 62 CONECT 54 53 55 61 CONECT 55 54 56 60 CONECT 56 55 57 58 CONECT 57 56 52 CONECT 58 56 59 CONECT 59 58 CONECT 60 55 CONECT 61 54 CONECT 62 53 CONECT 63 45 MASTER 0 0 0 0 0 0 0 0 63 0 140 0 END SMILES for NP0141200 (Nudicaucin A)CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O INCHI for NP0141200 (Nudicaucin A)InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-40-35(55)33(53)31(51)26(19-48)60-40)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)61-38-36(56)37(24(49)20-58-38)62-39-34(54)32(52)30(50)25(18-47)59-39/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44+,45+,46-/m0/s1 3D Structure for NP0141200 (Nudicaucin A) | |||||||||||||||
Synonyms | Not Available | |||||||||||||||
Chemical Formula | C46H72O17 | |||||||||||||||
Average Mass | 897.0650 Da | |||||||||||||||
Monoisotopic Mass | 896.47695 Da | |||||||||||||||
IUPAC Name | Not Available | |||||||||||||||
Traditional Name | Not Available | |||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||
SMILES | CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(=C)CC[C@@]3(CC[C@@]12C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O | |||||||||||||||
InChI Identifier | InChI=1S/C46H72O17/c1-21-9-14-46(41(57)63-40-35(55)33(53)31(51)26(19-48)60-40)16-15-44(5)22(23(46)17-21)7-8-28-43(4)12-11-29(42(2,3)27(43)10-13-45(28,44)6)61-38-36(56)37(24(49)20-58-38)62-39-34(54)32(52)30(50)25(18-47)59-39/h7,23-40,47-56H,1,8-20H2,2-6H3/t23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44+,45+,46-/m0/s1 | |||||||||||||||
InChI Key | WXWFCULTYPZHJI-LUKOXMCCSA-N | |||||||||||||||
Experimental Spectra | ||||||||||||||||
Not Available | ||||||||||||||||
Predicted Spectra | ||||||||||||||||
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Chemical Shift Submissions | ||||||||||||||||
Not Available | ||||||||||||||||
Species | ||||||||||||||||
Species of Origin | Not Available | |||||||||||||||
Chemical Taxonomy | ||||||||||||||||
Classification | Not classified | |||||||||||||||
Physical Properties | ||||||||||||||||
State | Not Available | |||||||||||||||
Experimental Properties |
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Predicted Properties |
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External Links | ||||||||||||||||
HMDB ID | Not Available | |||||||||||||||
DrugBank ID | Not Available | |||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||
FoodDB ID | Not Available | |||||||||||||||
KNApSAcK ID | C00044269 | |||||||||||||||
Chemspider ID | 82826985 | |||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||
BioCyc ID | Not Available | |||||||||||||||
BiGG ID | Not Available | |||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||
METLIN ID | Not Available | |||||||||||||||
PubChem Compound | 134715245 | |||||||||||||||
PDB ID | Not Available | |||||||||||||||
ChEBI ID | Not Available | |||||||||||||||
Good Scents ID | Not Available | |||||||||||||||
References | ||||||||||||||||
General References | Not Available |