Showing NP-Card for Leucocin C-TA33a (NP0023746)
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Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2021-01-06 08:47:40 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 17:42:34 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0023746 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Leucocin C-TA33a | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Leucocin C-TA33a is found in Leuconostoc mesenteroides. It was first documented in 1998 (PMID: 9611809). Based on a literature review very few articles have been published on Leucocin C-TA33a. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0023746 (Leucocin C-TA33a)Mrv1652307042108203D 146147 0 0 0 0 999 V2000 -4.6947 -2.0338 3.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 -3.0312 1.9456 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6400 -4.1156 2.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 -2.4207 0.6078 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9496 -1.7620 0.6764 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 -2.3553 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -3.5670 -0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -1.7799 0.2518 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3143 -0.4030 0.6519 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 0.2823 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 -0.3697 0.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 1.6840 0.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1396 2.5604 0.1409 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3775 2.4595 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 1.6184 -1.9254 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 3.2187 -2.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 2.1348 0.7115 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 3.2706 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 3.8553 2.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 3.8064 1.1345 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0341 2.9514 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 1.6538 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 1.2208 1.8331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 0.7424 -0.2172 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1807 -0.0002 -1.0786 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8314 -0.8974 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.2378 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -3.0406 -2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -2.5536 -4.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -3.3815 -4.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8245 -1.2141 -4.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -0.4079 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -0.1330 0.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -0.2395 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 0.4151 -0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 -1.0668 1.3764 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6833 -2.4164 1.6629 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5197 -3.2799 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8966 -4.5475 0.5919 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9413 -2.8757 -0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -1.0661 0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 -0.0926 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 0.8684 1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8924 -0.2655 0.5551 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1034 -1.6379 0.1625 N 0 0 2 0 0 0 0 0 0 0 0 0 14.0449 0.2617 1.3379 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9943 1.7520 1.5777 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9680 2.5145 0.2742 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9271 3.9912 0.5801 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1086 4.3346 1.3345 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.2503 -1.4671 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -0.2402 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -1.7868 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4925 -0.7200 -0.7097 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5530 -0.7354 -2.2266 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4391 0.3181 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0212 1.6128 -2.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0893 2.3194 -3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1493 1.4792 -3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 0.2888 -3.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8379 -0.9428 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1450 -2.0949 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7666 0.1045 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0965 -0.2139 0.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8891 0.0471 1.9911 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.4059 -0.2894 2.8818 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1244 0.7088 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 1.7124 -0.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5124 0.5336 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4892 1.4833 -0.3012 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.3239 2.0554 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3131 3.0145 0.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2168 1.7429 1.9723 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2883 0.9180 -1.4608 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.0440 -0.3235 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1756 1.8862 -1.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 -2.4615 4.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 -1.0891 2.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7646 -1.7878 3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 -3.5264 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 -3.7751 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9692 -4.6686 3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 -4.8690 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 -3.2711 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 -0.7931 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.9195 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -2.4224 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 0.0998 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9436 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 2.2969 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 3.6065 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 0.6204 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 1.9673 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 1.6202 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 4.8479 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 3.9091 2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 3.2741 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 1.3671 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 -0.6227 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 0.7708 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7443 -2.6467 -0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 -4.0936 -2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -3.4398 -4.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -0.7756 -5.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 0.6530 -3.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4621 -0.6918 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 -0.4817 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3672 -2.9362 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 -2.3179 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 -5.4522 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -4.6461 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8137 -1.8578 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8297 0.2921 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1129 -1.8760 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8139 -1.8059 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -0.2221 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0058 0.0607 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 2.0431 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1791 2.0702 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8655 2.2687 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0186 2.2990 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0508 4.1992 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 4.5943 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 4.4046 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9193 5.2647 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 -2.7520 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0754 0.2334 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9722 -1.7074 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -0.6640 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0213 2.0255 -2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1351 1.7517 -3.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3439 -0.5495 -2.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5719 1.0869 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2792 -1.2817 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0441 -0.6289 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5340 1.0879 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8390 -1.6012 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7908 -0.3108 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8988 2.3256 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3133 2.9455 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9573 3.8725 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5362 0.6725 -2.2612 H 0 0 0 0 0 0 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0 0 0 0 0 0 0 -0.3143 -0.4030 0.6519 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 0.2823 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 -0.3697 0.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 1.6840 0.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1396 2.5604 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 2.4595 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 1.6184 -1.9254 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 3.2187 -2.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 2.1348 0.7115 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 3.2706 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 3.8553 2.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 3.8064 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 2.9514 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 1.6538 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 1.2208 1.8331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 0.7424 -0.2172 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1807 -0.0002 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -0.8974 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.2378 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -3.0406 -2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -2.5536 -4.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -3.3815 -4.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8245 -1.2141 -4.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -0.4079 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -0.1330 0.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -0.2395 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 0.4151 -0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 -1.0668 1.3764 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6833 -2.4164 1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 -3.2799 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8966 -4.5475 0.5919 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9413 -2.8757 -0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -1.0661 0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 -0.0926 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 0.8684 1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8924 -0.2655 0.5551 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1034 -1.6379 0.1625 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 0.2617 1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 1.7520 1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9680 2.5145 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 3.9912 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1086 4.3346 1.3345 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2503 -1.4671 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -0.2402 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -1.7868 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4925 -0.7200 -0.7097 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5530 -0.7354 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4391 0.3181 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0212 1.6128 -2.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0893 2.3194 -3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1493 1.4792 -3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 0.2888 -3.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8379 -0.9428 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1450 -2.0949 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7666 0.1045 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0965 -0.2139 0.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8891 0.0471 1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4059 -0.2894 2.8818 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1244 0.7088 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 1.7124 -0.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5124 0.5336 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4892 1.4833 -0.3012 C 0 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0 0 0 0 36 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 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 4 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 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 54 61 1 0 0 0 0 61 62 2 0 0 0 0 61 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 64 67 1 0 0 0 0 67 68 2 0 0 0 0 67 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 2 0 0 0 0 70 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 32 26 1 0 0 0 0 60 56 1 0 0 0 0 1 77 1 0 0 0 0 1 78 1 0 0 0 0 1 79 1 0 0 0 0 2 80 1 6 0 0 0 3 81 1 0 0 0 0 3 82 1 0 0 0 0 3 83 1 0 0 0 0 4 84 1 6 0 0 0 5 85 1 0 0 0 0 8 86 1 0 0 0 0 8 87 1 0 0 0 0 9 88 1 0 0 0 0 12 89 1 1 0 0 0 13 90 1 0 0 0 0 13 91 1 0 0 0 0 15 92 1 0 0 0 0 15 93 1 0 0 0 0 17 94 1 0 0 0 0 20 95 1 0 0 0 0 20 96 1 0 0 0 0 21 97 1 0 0 0 0 24 98 1 6 0 0 0 25 99 1 0 0 0 0 25100 1 0 0 0 0 27101 1 0 0 0 0 28102 1 0 0 0 0 30103 1 0 0 0 0 31104 1 0 0 0 0 32105 1 0 0 0 0 33106 1 0 0 0 0 36107 1 1 0 0 0 37108 1 0 0 0 0 37109 1 0 0 0 0 39110 1 0 0 0 0 39111 1 0 0 0 0 41112 1 0 0 0 0 44113 1 6 0 0 0 45114 1 0 0 0 0 45115 1 0 0 0 0 46116 1 0 0 0 0 46117 1 0 0 0 0 47118 1 0 0 0 0 47119 1 0 0 0 0 48120 1 0 0 0 0 48121 1 0 0 0 0 49122 1 0 0 0 0 49123 1 0 0 0 0 50124 1 0 0 0 0 50125 1 0 0 0 0 53126 1 0 0 0 0 54127 1 6 0 0 0 55128 1 0 0 0 0 55129 1 0 0 0 0 57130 1 0 0 0 0 59131 1 0 0 0 0 60132 1 0 0 0 0 63133 1 0 0 0 0 64134 1 1 0 0 0 65135 1 0 0 0 0 65136 1 0 0 0 0 66137 1 0 0 0 0 69138 1 0 0 0 0 70139 1 6 0 0 0 72140 1 0 0 0 0 72141 1 0 0 0 0 74142 1 6 0 0 0 75143 1 0 0 0 0 75144 1 0 0 0 0 75145 1 0 0 0 0 76146 1 0 0 0 0 M END > <DATABASE_ID> NP0023746 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([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])(O[H])C([H])([H])[H])C([H])([H])S[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C45H70N16O14S/c1-21(2)36(45(75)58-28(13-24-16-51-20-54-24)42(72)59-31(19-76)44(74)61-37(22(3)62)38(50)68)60-35(67)18-53-41(71)29(14-32(48)64)55-34(66)17-52-40(70)27(12-23-7-9-25(63)10-8-23)57-43(73)30(15-33(49)65)56-39(69)26(47)6-4-5-11-46/h7-10,16,20-22,26-31,36-37,62-63,76H,4-6,11-15,17-19,46-47H2,1-3H3,(H2,48,64)(H2,49,65)(H2,50,68)(H,51,54)(H,52,70)(H,53,71)(H,55,66)(H,56,69)(H,57,73)(H,58,75)(H,59,72)(H,60,67)(H,61,74)/t22-,26-,27+,28+,29+,30-,31+,36+,37+/m1/s1 > <INCHI_KEY> XNHDORMSXNDQMQ-NKHNYZCGSA-N > <FORMULA> C45H70N16O14S > <MOLECULAR_WEIGHT> 1091.21 > <EXACT_MASS> 1090.497812172 > <JCHEM_ACCEPTOR_COUNT> 17 > <JCHEM_ATOM_COUNT> 146 > <JCHEM_AVERAGE_POLARIZABILITY> 111.39263762977862 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 18 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (2S)-2-{2-[(2S)-2-[(2R)-3-carbamoyl-2-[(2R)-2,6-diaminohexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-N-({[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)butanediamide > <ALOGPS_LOGP> -1.36 > <JCHEM_LOGP> -10.312371520744403 > <ALOGPS_LOGS> -4.66 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 2 > <JCHEM_PHYSIOLOGICAL_CHARGE> 3 > <JCHEM_PKA> 9.901321970650885 > <JCHEM_PKA_STRONGEST_ACIDIC> 9.332730572293038 > <JCHEM_PKA_STRONGEST_BASIC> 10.431684127392248 > <JCHEM_POLAR_SURFACE_AREA> 512.3499999999998 > <JCHEM_REFRACTIVITY> 268.8817000000001 > <JCHEM_ROTATABLE_BOND_COUNT> 34 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 2.37e-02 g/l > <JCHEM_TRADITIONAL_IUPAC> (2S)-2-{2-[(2S)-2-[(2R)-3-carbamoyl-2-[(2R)-2,6-diaminohexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-N-({[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)succinamide > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0023746 (Leucocin C-TA33a)RDKit 3D 146147 0 0 0 0 0 0 0 0999 V2000 -4.6947 -2.0338 3.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6135 -3.0312 1.9456 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6400 -4.1156 2.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2416 -2.4207 0.6078 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9496 -1.7620 0.6764 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 -2.3553 0.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -3.5670 -0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4058 -1.7799 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 -0.4030 0.6519 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9234 0.2823 0.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 -0.3697 0.2522 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0744 1.6840 0.9852 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1396 2.5604 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3775 2.4595 -1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 1.6184 -1.9254 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3539 3.2187 -2.0316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4194 2.1348 0.7115 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9294 3.2706 1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1599 3.8553 2.1931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2851 3.8064 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 2.9514 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3580 1.6538 0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0529 1.2208 1.8331 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1392 0.7424 -0.2172 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1807 -0.0002 -1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -0.8974 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.2378 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -3.0406 -2.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0343 -2.5536 -4.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6286 -3.3815 -4.9732 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8245 -1.2141 -4.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -0.4079 -3.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 -0.1330 0.6441 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3343 -0.2395 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8790 0.4151 -0.4531 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2049 -1.0668 1.3764 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6833 -2.4164 1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 -3.2799 0.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8966 -4.5475 0.5919 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9413 -2.8757 -0.6185 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 -1.0661 0.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5561 -0.0926 1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2609 0.8684 1.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8924 -0.2655 0.5551 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1034 -1.6379 0.1625 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 0.2617 1.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9943 1.7520 1.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9680 2.5145 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 3.9912 0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1086 4.3346 1.3345 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2503 -1.4671 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -0.2402 0.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5742 -1.7868 -0.2737 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4925 -0.7200 -0.7097 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5530 -0.7354 -2.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4391 0.3181 -2.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0212 1.6128 -2.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0893 2.3194 -3.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.1493 1.4792 -3.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7419 0.2888 -3.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8379 -0.9428 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1450 -2.0949 0.2007 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7666 0.1045 -0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0965 -0.2139 0.4641 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8891 0.0471 1.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4059 -0.2894 2.8818 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.1244 0.7088 -0.0324 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 1.7124 -0.7187 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5124 0.5336 0.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.4892 1.4833 -0.3012 C 0 0 2 0 0 0 0 0 0 0 0 0 -15.3239 2.0554 0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3131 3.0145 0.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2168 1.7429 1.9723 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.2883 0.9180 -1.4608 C 0 0 1 0 0 0 0 0 0 0 0 0 -16.0440 -0.3235 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1756 1.8862 -1.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2941 -2.4615 4.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2002 -1.0891 2.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7646 -1.7878 3.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6098 -3.5264 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6075 -3.7751 2.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9692 -4.6686 3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6165 -4.8690 1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1511 -3.2711 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9503 -0.7931 1.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.9195 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -2.4224 0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1556 0.0998 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 1.9436 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 2.2969 0.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3407 3.6065 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1353 0.6204 -2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 1.9673 -2.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0357 1.6202 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2056 4.8479 0.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 3.9091 2.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3242 3.2741 -0.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7934 1.3671 -0.8428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5098 -0.6227 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 0.7708 -1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7443 -2.6467 -0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7896 -4.0936 -2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6453 -3.4398 -4.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1144 -0.7756 -5.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 0.6530 -3.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4621 -0.6918 1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2633 -0.4817 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3672 -2.9362 2.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7014 -2.3179 2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4493 -5.4522 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -4.6461 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8137 -1.8578 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8297 0.2921 -0.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1129 -1.8760 0.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8139 -1.8059 -0.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1086 -0.2221 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0058 0.0607 0.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 2.0431 2.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1791 2.0702 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8655 2.2687 -0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0186 2.2990 -0.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0508 4.1992 1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8473 4.5943 -0.3614 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 4.4046 0.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9193 5.2647 1.7958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9319 -2.7520 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0754 0.2334 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9722 -1.7074 -2.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5401 -0.6640 -2.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0213 2.0255 -2.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1351 1.7517 -3.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3439 -0.5495 -2.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5719 1.0869 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2792 -1.2817 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0441 -0.6289 2.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5340 1.0879 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8390 -1.6012 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7908 -0.3108 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8988 2.3256 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3133 2.9455 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9573 3.8725 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5362 0.6725 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4715 -1.2368 -1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9674 -0.3263 -1.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3874 -0.3744 -0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1048 1.5920 -1.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 12 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 24 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 2 0 36 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 4 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 54 61 1 0 61 62 2 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 64 67 1 0 67 68 2 0 67 69 1 0 69 70 1 0 70 71 1 0 71 72 1 0 71 73 2 0 70 74 1 0 74 75 1 0 74 76 1 0 32 26 1 0 60 56 1 0 1 77 1 0 1 78 1 0 1 79 1 0 2 80 1 6 3 81 1 0 3 82 1 0 3 83 1 0 4 84 1 6 5 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 12 89 1 1 13 90 1 0 13 91 1 0 15 92 1 0 15 93 1 0 17 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 27101 1 0 28102 1 0 30103 1 0 31104 1 0 32105 1 0 33106 1 0 36107 1 1 37108 1 0 37109 1 0 39110 1 0 39111 1 0 41112 1 0 44113 1 6 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 53126 1 0 54127 1 6 55128 1 0 55129 1 0 57130 1 0 59131 1 0 60132 1 0 63133 1 0 64134 1 1 65135 1 0 65136 1 0 66137 1 0 69138 1 0 70139 1 6 72140 1 0 72141 1 0 74142 1 6 75143 1 0 75144 1 0 75145 1 0 76146 1 0 M END PDB for NP0023746 (Leucocin C-TA33a)HEADER PROTEIN 04-JUL-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 04-JUL-21 0 HETATM 1 C UNK 0 -4.695 -2.034 3.063 0.00 0.00 C+0 HETATM 2 C UNK 0 -4.614 -3.031 1.946 0.00 0.00 C+0 HETATM 3 C UNK 0 -3.640 -4.116 2.334 0.00 0.00 C+0 HETATM 4 C UNK 0 -4.242 -2.421 0.608 0.00 0.00 C+0 HETATM 5 N UNK 0 -2.950 -1.762 0.676 0.00 0.00 N+0 HETATM 6 C UNK 0 -1.754 -2.355 0.273 0.00 0.00 C+0 HETATM 7 O UNK 0 -1.841 -3.567 -0.139 0.00 0.00 O+0 HETATM 8 C UNK 0 -0.406 -1.780 0.252 0.00 0.00 C+0 HETATM 9 N UNK 0 -0.314 -0.403 0.652 0.00 0.00 N+0 HETATM 10 C UNK 0 0.923 0.282 0.622 0.00 0.00 C+0 HETATM 11 O UNK 0 1.929 -0.370 0.252 0.00 0.00 O+0 HETATM 12 C UNK 0 1.074 1.684 0.985 0.00 0.00 C+0 HETATM 13 C UNK 0 0.140 2.560 0.141 0.00 0.00 C+0 HETATM 14 C UNK 0 0.378 2.459 -1.304 0.00 0.00 C+0 HETATM 15 N UNK 0 1.317 1.618 -1.925 0.00 0.00 N+0 HETATM 16 O UNK 0 -0.354 3.219 -2.032 0.00 0.00 O+0 HETATM 17 N UNK 0 2.419 2.135 0.712 0.00 0.00 N+0 HETATM 18 C UNK 0 2.929 3.271 1.368 0.00 0.00 C+0 HETATM 19 O UNK 0 2.160 3.855 2.193 0.00 0.00 O+0 HETATM 20 C UNK 0 4.285 3.806 1.135 0.00 0.00 C+0 HETATM 21 N UNK 0 5.034 2.951 0.244 0.00 0.00 N+0 HETATM 22 C UNK 0 5.358 1.654 0.721 0.00 0.00 C+0 HETATM 23 O UNK 0 5.053 1.221 1.833 0.00 0.00 O+0 HETATM 24 C UNK 0 6.139 0.742 -0.217 0.00 0.00 C+0 HETATM 25 C UNK 0 5.181 -0.000 -1.079 0.00 0.00 C+0 HETATM 26 C UNK 0 5.831 -0.897 -2.048 0.00 0.00 C+0 HETATM 27 C UNK 0 6.049 -2.238 -1.823 0.00 0.00 C+0 HETATM 28 C UNK 0 6.639 -3.041 -2.791 0.00 0.00 C+0 HETATM 29 C UNK 0 7.034 -2.554 -4.006 0.00 0.00 C+0 HETATM 30 O UNK 0 7.629 -3.381 -4.973 0.00 0.00 O+0 HETATM 31 C UNK 0 6.824 -1.214 -4.245 0.00 0.00 C+0 HETATM 32 C UNK 0 6.242 -0.408 -3.300 0.00 0.00 C+0 HETATM 33 N UNK 0 6.937 -0.133 0.644 0.00 0.00 N+0 HETATM 34 C UNK 0 8.334 -0.240 0.491 0.00 0.00 C+0 HETATM 35 O UNK 0 8.879 0.415 -0.453 0.00 0.00 O+0 HETATM 36 C UNK 0 9.205 -1.067 1.376 0.00 0.00 C+0 HETATM 37 C UNK 0 8.683 -2.416 1.663 0.00 0.00 C+0 HETATM 38 C UNK 0 8.520 -3.280 0.483 0.00 0.00 C+0 HETATM 39 N UNK 0 7.897 -4.548 0.592 0.00 0.00 N+0 HETATM 40 O UNK 0 8.941 -2.876 -0.619 0.00 0.00 O+0 HETATM 41 N UNK 0 10.563 -1.066 0.872 0.00 0.00 N+0 HETATM 42 C UNK 0 11.556 -0.093 1.163 0.00 0.00 C+0 HETATM 43 O UNK 0 11.261 0.868 1.915 0.00 0.00 O+0 HETATM 44 C UNK 0 12.892 -0.266 0.555 0.00 0.00 C+0 HETATM 45 N UNK 0 13.103 -1.638 0.163 0.00 0.00 N+0 HETATM 46 C UNK 0 14.045 0.262 1.338 0.00 0.00 C+0 HETATM 47 C UNK 0 13.994 1.752 1.578 0.00 0.00 C+0 HETATM 48 C UNK 0 13.968 2.515 0.274 0.00 0.00 C+0 HETATM 49 C UNK 0 13.927 3.991 0.580 0.00 0.00 C+0 HETATM 50 N UNK 0 15.109 4.335 1.335 0.00 0.00 N+0 HETATM 51 C UNK 0 -5.250 -1.467 0.133 0.00 0.00 C+0 HETATM 52 O UNK 0 -4.929 -0.240 0.072 0.00 0.00 O+0 HETATM 53 N UNK 0 -6.574 -1.787 -0.274 0.00 0.00 N+0 HETATM 54 C UNK 0 -7.492 -0.720 -0.710 0.00 0.00 C+0 HETATM 55 C UNK 0 -7.553 -0.735 -2.227 0.00 0.00 C+0 HETATM 56 C UNK 0 -8.439 0.318 -2.715 0.00 0.00 C+0 HETATM 57 C UNK 0 -8.021 1.613 -2.987 0.00 0.00 C+0 HETATM 58 N UNK 0 -9.089 2.319 -3.456 0.00 0.00 N+0 HETATM 59 C UNK 0 -10.149 1.479 -3.475 0.00 0.00 C+0 HETATM 60 N UNK 0 -9.742 0.289 -3.028 0.00 0.00 N+0 HETATM 61 C UNK 0 -8.838 -0.943 -0.175 0.00 0.00 C+0 HETATM 62 O UNK 0 -9.145 -2.095 0.201 0.00 0.00 O+0 HETATM 63 N UNK 0 -9.767 0.105 -0.079 0.00 0.00 N+0 HETATM 64 C UNK 0 -11.097 -0.214 0.464 0.00 0.00 C+0 HETATM 65 C UNK 0 -10.889 0.047 1.991 0.00 0.00 C+0 HETATM 66 S UNK 0 -12.406 -0.289 2.882 0.00 0.00 S+0 HETATM 67 C UNK 0 -12.124 0.709 -0.032 0.00 0.00 C+0 HETATM 68 O UNK 0 -11.726 1.712 -0.719 0.00 0.00 O+0 HETATM 69 N UNK 0 -13.512 0.534 0.212 0.00 0.00 N+0 HETATM 70 C UNK 0 -14.489 1.483 -0.301 0.00 0.00 C+0 HETATM 71 C UNK 0 -15.324 2.055 0.762 0.00 0.00 C+0 HETATM 72 N UNK 0 -16.313 3.014 0.427 0.00 0.00 N+0 HETATM 73 O UNK 0 -15.217 1.743 1.972 0.00 0.00 O+0 HETATM 74 C UNK 0 -15.288 0.918 -1.461 0.00 0.00 C+0 HETATM 75 C UNK 0 -16.044 -0.324 -1.129 0.00 0.00 C+0 HETATM 76 O UNK 0 -16.176 1.886 -1.877 0.00 0.00 O+0 HETATM 77 H UNK 0 -4.294 -2.462 4.021 0.00 0.00 H+0 HETATM 78 H UNK 0 -4.200 -1.089 2.771 0.00 0.00 H+0 HETATM 79 H UNK 0 -5.765 -1.788 3.317 0.00 0.00 H+0 HETATM 80 H UNK 0 -5.610 -3.526 1.893 0.00 0.00 H+0 HETATM 81 H UNK 0 -2.607 -3.775 2.487 0.00 0.00 H+0 HETATM 82 H UNK 0 -3.969 -4.669 3.240 0.00 0.00 H+0 HETATM 83 H UNK 0 -3.616 -4.869 1.508 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.151 -3.271 -0.086 0.00 0.00 H+0 HETATM 85 H UNK 0 -2.950 -0.793 1.054 0.00 0.00 H+0 HETATM 86 H UNK 0 -0.024 -1.920 -0.806 0.00 0.00 H+0 HETATM 87 H UNK 0 0.318 -2.422 0.846 0.00 0.00 H+0 HETATM 88 H UNK 0 -1.156 0.100 0.968 0.00 0.00 H+0 HETATM 89 H UNK 0 0.792 1.944 2.031 0.00 0.00 H+0 HETATM 90 H UNK 0 -0.926 2.297 0.358 0.00 0.00 H+0 HETATM 91 H UNK 0 0.341 3.607 0.461 0.00 0.00 H+0 HETATM 92 H UNK 0 1.135 0.620 -2.154 0.00 0.00 H+0 HETATM 93 H UNK 0 2.273 1.967 -2.197 0.00 0.00 H+0 HETATM 94 H UNK 0 3.036 1.620 0.016 0.00 0.00 H+0 HETATM 95 H UNK 0 4.206 4.848 0.730 0.00 0.00 H+0 HETATM 96 H UNK 0 4.817 3.909 2.123 0.00 0.00 H+0 HETATM 97 H UNK 0 5.324 3.274 -0.718 0.00 0.00 H+0 HETATM 98 H UNK 0 6.793 1.367 -0.843 0.00 0.00 H+0 HETATM 99 H UNK 0 4.510 -0.623 -0.433 0.00 0.00 H+0 HETATM 100 H UNK 0 4.549 0.771 -1.608 0.00 0.00 H+0 HETATM 101 H UNK 0 5.744 -2.647 -0.861 0.00 0.00 H+0 HETATM 102 H UNK 0 6.790 -4.094 -2.575 0.00 0.00 H+0 HETATM 103 H UNK 0 8.645 -3.440 -4.923 0.00 0.00 H+0 HETATM 104 H UNK 0 7.114 -0.776 -5.171 0.00 0.00 H+0 HETATM 105 H UNK 0 6.063 0.653 -3.457 0.00 0.00 H+0 HETATM 106 H UNK 0 6.462 -0.692 1.389 0.00 0.00 H+0 HETATM 107 H UNK 0 9.263 -0.482 2.346 0.00 0.00 H+0 HETATM 108 H UNK 0 9.367 -2.936 2.365 0.00 0.00 H+0 HETATM 109 H UNK 0 7.701 -2.318 2.206 0.00 0.00 H+0 HETATM 110 H UNK 0 8.449 -5.452 0.631 0.00 0.00 H+0 HETATM 111 H UNK 0 6.864 -4.646 0.639 0.00 0.00 H+0 HETATM 112 H UNK 0 10.814 -1.858 0.244 0.00 0.00 H+0 HETATM 113 H UNK 0 12.830 0.292 -0.450 0.00 0.00 H+0 HETATM 114 H UNK 0 14.113 -1.876 0.269 0.00 0.00 H+0 HETATM 115 H UNK 0 12.814 -1.806 -0.818 0.00 0.00 H+0 HETATM 116 H UNK 0 14.109 -0.222 2.346 0.00 0.00 H+0 HETATM 117 H UNK 0 15.006 0.061 0.830 0.00 0.00 H+0 HETATM 118 H UNK 0 14.943 2.043 2.094 0.00 0.00 H+0 HETATM 119 H UNK 0 13.179 2.070 2.208 0.00 0.00 H+0 HETATM 120 H UNK 0 14.866 2.269 -0.347 0.00 0.00 H+0 HETATM 121 H UNK 0 13.019 2.299 -0.293 0.00 0.00 H+0 HETATM 122 H UNK 0 13.051 4.199 1.201 0.00 0.00 H+0 HETATM 123 H UNK 0 13.847 4.594 -0.361 0.00 0.00 H+0 HETATM 124 H UNK 0 15.937 4.405 0.699 0.00 0.00 H+0 HETATM 125 H UNK 0 14.919 5.265 1.796 0.00 0.00 H+0 HETATM 126 H UNK 0 -6.932 -2.752 -0.281 0.00 0.00 H+0 HETATM 127 H UNK 0 -7.075 0.233 -0.425 0.00 0.00 H+0 HETATM 128 H UNK 0 -7.972 -1.707 -2.599 0.00 0.00 H+0 HETATM 129 H UNK 0 -6.540 -0.664 -2.673 0.00 0.00 H+0 HETATM 130 H UNK 0 -7.021 2.026 -2.858 0.00 0.00 H+0 HETATM 131 H UNK 0 -11.135 1.752 -3.797 0.00 0.00 H+0 HETATM 132 H UNK 0 -10.344 -0.550 -2.932 0.00 0.00 H+0 HETATM 133 H UNK 0 -9.572 1.087 -0.365 0.00 0.00 H+0 HETATM 134 H UNK 0 -11.279 -1.282 0.363 0.00 0.00 H+0 HETATM 135 H UNK 0 -10.044 -0.629 2.265 0.00 0.00 H+0 HETATM 136 H UNK 0 -10.534 1.088 2.074 0.00 0.00 H+0 HETATM 137 H UNK 0 -12.839 -1.601 2.522 0.00 0.00 H+0 HETATM 138 H UNK 0 -13.791 -0.311 0.772 0.00 0.00 H+0 HETATM 139 H UNK 0 -13.899 2.326 -0.754 0.00 0.00 H+0 HETATM 140 H UNK 0 -17.313 2.946 0.640 0.00 0.00 H+0 HETATM 141 H UNK 0 -15.957 3.873 -0.089 0.00 0.00 H+0 HETATM 142 H UNK 0 -14.536 0.673 -2.261 0.00 0.00 H+0 HETATM 143 H UNK 0 -15.472 -1.237 -1.435 0.00 0.00 H+0 HETATM 144 H UNK 0 -16.967 -0.326 -1.774 0.00 0.00 H+0 HETATM 145 H UNK 0 -16.387 -0.374 -0.086 0.00 0.00 H+0 HETATM 146 H UNK 0 -17.105 1.592 -1.804 0.00 0.00 H+0 CONECT 1 2 77 78 79 CONECT 2 1 3 4 80 CONECT 3 2 81 82 83 CONECT 4 2 5 51 84 CONECT 5 4 6 85 CONECT 6 5 7 8 CONECT 7 6 CONECT 8 6 9 86 87 CONECT 9 8 10 88 CONECT 10 9 11 12 CONECT 11 10 CONECT 12 10 13 17 89 CONECT 13 12 14 90 91 CONECT 14 13 15 16 CONECT 15 14 92 93 CONECT 16 14 CONECT 17 12 18 94 CONECT 18 17 19 20 CONECT 19 18 CONECT 20 18 21 95 96 CONECT 21 20 22 97 CONECT 22 21 23 24 CONECT 23 22 CONECT 24 22 25 33 98 CONECT 25 24 26 99 100 CONECT 26 25 27 32 CONECT 27 26 28 101 CONECT 28 27 29 102 CONECT 29 28 30 31 CONECT 30 29 103 CONECT 31 29 32 104 CONECT 32 31 26 105 CONECT 33 24 34 106 CONECT 34 33 35 36 CONECT 35 34 CONECT 36 34 37 41 107 CONECT 37 36 38 108 109 CONECT 38 37 39 40 CONECT 39 38 110 111 CONECT 40 38 CONECT 41 36 42 112 CONECT 42 41 43 44 CONECT 43 42 CONECT 44 42 45 46 113 CONECT 45 44 114 115 CONECT 46 44 47 116 117 CONECT 47 46 48 118 119 CONECT 48 47 49 120 121 CONECT 49 48 50 122 123 CONECT 50 49 124 125 CONECT 51 4 52 53 CONECT 52 51 CONECT 53 51 54 126 CONECT 54 53 55 61 127 CONECT 55 54 56 128 129 CONECT 56 55 57 60 CONECT 57 56 58 130 CONECT 58 57 59 CONECT 59 58 60 131 CONECT 60 59 56 132 CONECT 61 54 62 63 CONECT 62 61 CONECT 63 61 64 133 CONECT 64 63 65 67 134 CONECT 65 64 66 135 136 CONECT 66 65 137 CONECT 67 64 68 69 CONECT 68 67 CONECT 69 67 70 138 CONECT 70 69 71 74 139 CONECT 71 70 72 73 CONECT 72 71 140 141 CONECT 73 71 CONECT 74 70 75 76 142 CONECT 75 74 143 144 145 CONECT 76 74 146 CONECT 77 1 CONECT 78 1 CONECT 79 1 CONECT 80 2 CONECT 81 3 CONECT 82 3 CONECT 83 3 CONECT 84 4 CONECT 85 5 CONECT 86 8 CONECT 87 8 CONECT 88 9 CONECT 89 12 CONECT 90 13 CONECT 91 13 CONECT 92 15 CONECT 93 15 CONECT 94 17 CONECT 95 20 CONECT 96 20 CONECT 97 21 CONECT 98 24 CONECT 99 25 CONECT 100 25 CONECT 101 27 CONECT 102 28 CONECT 103 30 CONECT 104 31 CONECT 105 32 CONECT 106 33 CONECT 107 36 CONECT 108 37 CONECT 109 37 CONECT 110 39 CONECT 111 39 CONECT 112 41 CONECT 113 44 CONECT 114 45 CONECT 115 45 CONECT 116 46 CONECT 117 46 CONECT 118 47 CONECT 119 47 CONECT 120 48 CONECT 121 48 CONECT 122 49 CONECT 123 49 CONECT 124 50 CONECT 125 50 CONECT 126 53 CONECT 127 54 CONECT 128 55 CONECT 129 55 CONECT 130 57 CONECT 131 59 CONECT 132 60 CONECT 133 63 CONECT 134 64 CONECT 135 65 CONECT 136 65 CONECT 137 66 CONECT 138 69 CONECT 139 70 CONECT 140 72 CONECT 141 72 CONECT 142 74 CONECT 143 75 CONECT 144 75 CONECT 145 75 CONECT 146 76 MASTER 0 0 0 0 0 0 0 0 146 0 294 0 END SMILES for NP0023746 (Leucocin C-TA33a)[H]OC1=C([H])C([H])=C(C([H])=C1[H])C([H])([H])[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H])C([H])([H])C(=O)N([H])[H])C(=O)N([H])C([H])([H])C(=O)N([H])[C@]([H])(C(=O)N([H])C([H])([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])(O[H])C([H])([H])[H])C([H])([H])S[H])C([H])([H])C1=C([H])N=C([H])N1[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C(=O)N([H])[H] INCHI for NP0023746 (Leucocin C-TA33a)InChI=1S/C45H70N16O14S/c1-21(2)36(45(75)58-28(13-24-16-51-20-54-24)42(72)59-31(19-76)44(74)61-37(22(3)62)38(50)68)60-35(67)18-53-41(71)29(14-32(48)64)55-34(66)17-52-40(70)27(12-23-7-9-25(63)10-8-23)57-43(73)30(15-33(49)65)56-39(69)26(47)6-4-5-11-46/h7-10,16,20-22,26-31,36-37,62-63,76H,4-6,11-15,17-19,46-47H2,1-3H3,(H2,48,64)(H2,49,65)(H2,50,68)(H,51,54)(H,52,70)(H,53,71)(H,55,66)(H,56,69)(H,57,73)(H,58,75)(H,59,72)(H,60,67)(H,61,74)/t22-,26-,27+,28+,29+,30-,31+,36+,37+/m1/s1 3D Structure for NP0023746 (Leucocin C-TA33a) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C45H70N16O14S | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 1091.2100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 1090.49781 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (2S)-2-{2-[(2S)-2-[(2R)-3-carbamoyl-2-[(2R)-2,6-diaminohexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-N-({[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)butanediamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (2S)-2-{2-[(2S)-2-[(2R)-3-carbamoyl-2-[(2R)-2,6-diaminohexanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-N-({[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}methyl)succinamide | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)C(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CC(N)=O)NC(=O)C(N)CCCCN)C(=O)NC(CC1=CN=CN1)C(=O)NC(CS)C(=O)NC([C@@H](C)O)C(N)=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C45H70N16O14S/c1-21(2)36(45(75)58-28(13-24-16-51-20-54-24)42(72)59-31(19-76)44(74)61-37(22(3)62)38(50)68)60-35(67)18-53-41(71)29(14-32(48)64)55-34(66)17-52-40(70)27(12-23-7-9-25(63)10-8-23)57-43(73)30(15-33(49)65)56-39(69)26(47)6-4-5-11-46/h7-10,16,20-22,26-31,36-37,62-63,76H,4-6,11-15,17-19,46-47H2,1-3H3,(H2,48,64)(H2,49,65)(H2,50,68)(H,51,54)(H,52,70)(H,53,71)(H,55,66)(H,56,69)(H,57,73)(H,58,75)(H,59,72)(H,60,67)(H,61,74)/t22-,26?,27?,28?,29?,30?,31?,36?,37?/m1/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | XNHDORMSXNDQMQ-NKHNYZCGSA-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 | NPA001321 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 78445475 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 139583454 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
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