Showing NP-Card for Piperazimycin B (NP0006825)
Record Information | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Version | 1.0 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Created at | 2020-12-09 03:45:05 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Updated at | 2021-07-15 16:55:54 UTC | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NP-MRD ID | NP0006825 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Secondary Accession Numbers | None | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Natural Product Identification | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Common Name | Piperazimycin B | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Provided By | NPAtlas | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Description | Piperazimycin B is found in Streptomyces sp. It was first documented in 2007 (PMID: 17221946). Based on a literature review very few articles have been published on Piperazimycin B. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Structure | MOL for NP0006825 (Piperazimycin B)Mrv1652307012119073D 96 99 0 0 0 0 999 V2000 8.5837 -0.1210 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -1.0020 0.6765 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8030 -2.4291 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 -0.5898 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -0.2119 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.1993 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 0.5858 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 1.0134 1.2887 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3284 0.9006 -0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0102 1.4093 -0.4199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 2.7192 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 3.2125 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 3.7429 0.6640 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8316 4.6217 0.4451 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5512 6.0840 0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2207 6.4095 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 6.5975 1.3250 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3974 5.5966 1.7585 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.5505 4.5902 0.7605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 4.5603 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 5.6518 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 3.4268 -0.1724 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3177 2.2689 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 1.0864 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 0.5007 1.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 0.3843 -0.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9153 0.5976 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 1.1015 -0.6575 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7394 1.0433 0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -1.0182 -0.1704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 -2.1770 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3714 -2.9134 -1.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -2.7362 -0.9235 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2937 -4.2518 -1.0652 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7856 -4.8316 0.2123 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1049 -4.3496 1.4545 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0833 -2.9035 1.3964 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.2641 -2.5688 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -2.1670 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -1.2004 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -2.6641 -0.1331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1087 -3.6694 -1.2551 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4446 -3.8534 -1.9326 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5170 -5.4506 -2.7011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -3.7314 -0.9717 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6527 -2.4638 -0.3265 N 0 0 1 0 0 0 0 0 0 0 0 0 1.3728 -1.7522 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.4244 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8203 -0.2642 -2.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 0.7690 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 -0.6773 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 0.1851 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 -0.8294 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -2.8158 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 -3.0505 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -2.5125 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -0.5915 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 -0.1884 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 0.1891 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 0.5696 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 2.0920 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 0.4108 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 1.6226 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 0.6757 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 3.2529 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 4.2814 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 4.4282 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 6.6190 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 5.8803 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 7.4094 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 7.0400 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 5.1857 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 3.7196 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 3.2905 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 0.8521 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 1.3197 -2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 -0.3743 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 2.1038 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 0.4422 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2259 0.7069 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -1.1145 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.3004 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -4.8086 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 -4.3491 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 -4.7628 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -5.9432 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -4.7752 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -4.6206 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.4453 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -3.3378 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -3.3085 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.6340 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -3.1044 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -3.8420 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -4.5944 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -2.6245 0.7023 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 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 9 1 0 0 0 0 19 13 1 0 0 0 0 38 33 1 0 0 0 0 47 41 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 53 1 1 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 4 57 1 0 0 0 0 5 58 1 0 0 0 0 6 59 1 0 0 0 0 7 60 1 0 0 0 0 8 61 1 0 0 0 0 8 62 1 0 0 0 0 9 63 1 6 0 0 0 10 64 1 0 0 0 0 13 65 1 1 0 0 0 14 66 1 0 0 0 0 14 67 1 0 0 0 0 15 68 1 1 0 0 0 16 69 1 0 0 0 0 17 70 1 0 0 0 0 17 71 1 0 0 0 0 18 72 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 33 82 1 6 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 41 90 1 1 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 6 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 M END 3D MOL for NP0006825 (Piperazimycin B)RDKit 3D 96 99 0 0 0 0 0 0 0 0999 V2000 8.5837 -0.1210 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -1.0020 0.6765 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8030 -2.4291 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 -0.5898 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -0.2119 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.1993 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 0.5858 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 1.0134 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 0.9006 -0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0102 1.4093 -0.4199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 2.7192 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 3.2125 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 3.7429 0.6640 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8316 4.6217 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 6.0840 0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2207 6.4095 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 6.5975 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 5.5966 1.7585 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 4.5902 0.7605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 4.5603 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 5.6518 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 3.4268 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 2.2689 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 1.0864 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 0.5007 1.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 0.3843 -0.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9153 0.5976 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 1.1015 -0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7394 1.0433 0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -1.0182 -0.1704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 -2.1770 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3714 -2.9134 -1.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -2.7362 -0.9235 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2937 -4.2518 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 -4.8316 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -4.3496 1.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -2.9035 1.3964 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 -2.5688 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -2.1670 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -1.2004 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -2.6641 -0.1331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1087 -3.6694 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 -3.8534 -1.9326 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5170 -5.4506 -2.7011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -3.7314 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -2.4638 -0.3265 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -1.7522 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.4244 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8203 -0.2642 -2.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 0.7690 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 -0.6773 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 0.1851 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 -0.8294 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -2.8158 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 -3.0505 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -2.5125 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -0.5915 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 -0.1884 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 0.1891 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 0.5696 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 2.0920 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 0.4108 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 1.6226 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 0.6757 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 3.2529 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 4.2814 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 4.4282 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 6.6190 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 5.8803 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 7.4094 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 7.0400 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 5.1857 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 3.7196 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 3.2905 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 0.8521 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 1.3197 -2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 -0.3743 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 2.1038 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 0.4422 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2259 0.7069 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -1.1145 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.3004 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -4.8086 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 -4.3491 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 -4.7628 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -5.9432 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -4.7752 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -4.6206 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.4453 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -3.3378 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -3.3085 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.6340 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -3.1044 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -3.8420 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -4.5944 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -2.6245 0.7023 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 26 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 9 1 0 19 13 1 0 38 33 1 0 47 41 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 1 3 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 6 10 64 1 0 13 65 1 1 14 66 1 0 14 67 1 0 15 68 1 1 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 27 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 30 81 1 0 33 82 1 6 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 41 90 1 1 42 91 1 0 42 92 1 0 43 93 1 6 45 94 1 0 45 95 1 0 46 96 1 0 M END 3D SDF for NP0006825 (Piperazimycin B)Mrv1652307012119073D 96 99 0 0 0 0 999 V2000 8.5837 -0.1210 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -1.0020 0.6765 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8030 -2.4291 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 -0.5898 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -0.2119 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.1993 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 0.5858 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 1.0134 1.2887 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3284 0.9006 -0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0102 1.4093 -0.4199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 2.7192 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 3.2125 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 3.7429 0.6640 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8316 4.6217 0.4451 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5512 6.0840 0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2207 6.4095 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 6.5975 1.3250 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3974 5.5966 1.7585 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.5505 4.5902 0.7605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 4.5603 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 5.6518 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 3.4268 -0.1724 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3177 2.2689 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 1.0864 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 0.5007 1.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 0.3843 -0.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9153 0.5976 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 1.1015 -0.6575 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7394 1.0433 0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -1.0182 -0.1704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 -2.1770 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3714 -2.9134 -1.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -2.7362 -0.9235 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2937 -4.2518 -1.0652 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7856 -4.8316 0.2123 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1049 -4.3496 1.4545 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0833 -2.9035 1.3964 N 0 0 2 0 0 0 0 0 0 0 0 0 -2.2641 -2.5688 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -2.1670 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -1.2004 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -2.6641 -0.1331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1087 -3.6694 -1.2551 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4446 -3.8534 -1.9326 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5170 -5.4506 -2.7011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -3.7314 -0.9717 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6527 -2.4638 -0.3265 N 0 0 1 0 0 0 0 0 0 0 0 0 1.3728 -1.7522 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.4244 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8203 -0.2642 -2.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 0.7690 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 -0.6773 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 0.1851 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 -0.8294 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -2.8158 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 -3.0505 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -2.5125 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -0.5915 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 -0.1884 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 0.1891 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 0.5696 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 2.0920 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 0.4108 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 1.6226 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 0.6757 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 3.2529 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 4.2814 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 4.4282 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 6.6190 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 5.8803 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 7.4094 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 7.0400 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 5.1857 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 3.7196 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 3.2905 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 0.8521 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 1.3197 -2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 -0.3743 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 2.1038 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 0.4422 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2259 0.7069 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -1.1145 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.3004 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -4.8086 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 -4.3491 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 -4.7628 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -5.9432 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -4.7752 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -4.6206 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.4453 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -3.3378 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -3.3085 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.6340 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -3.1044 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -3.8420 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -4.5944 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -2.6245 0.7023 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 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 6 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 9 1 0 0 0 0 19 13 1 0 0 0 0 38 33 1 0 0 0 0 47 41 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 1 52 1 0 0 0 0 2 53 1 1 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 3 56 1 0 0 0 0 4 57 1 0 0 0 0 5 58 1 0 0 0 0 6 59 1 0 0 0 0 7 60 1 0 0 0 0 8 61 1 0 0 0 0 8 62 1 0 0 0 0 9 63 1 6 0 0 0 10 64 1 0 0 0 0 13 65 1 1 0 0 0 14 66 1 0 0 0 0 14 67 1 0 0 0 0 15 68 1 1 0 0 0 16 69 1 0 0 0 0 17 70 1 0 0 0 0 17 71 1 0 0 0 0 18 72 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 27 75 1 0 0 0 0 27 76 1 0 0 0 0 27 77 1 0 0 0 0 28 78 1 0 0 0 0 28 79 1 0 0 0 0 29 80 1 0 0 0 0 30 81 1 0 0 0 0 33 82 1 6 0 0 0 34 83 1 0 0 0 0 34 84 1 0 0 0 0 35 85 1 0 0 0 0 35 86 1 0 0 0 0 36 87 1 0 0 0 0 36 88 1 0 0 0 0 37 89 1 0 0 0 0 41 90 1 1 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 43 93 1 6 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 M END > <DATABASE_ID> NP0006825 > <DATABASE_NAME> NP-MRD > <SMILES> [H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Cl)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C(=O)C([H])([H])OC1=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] > <INCHI_IDENTIFIER> InChI=1S/C31H47ClN8O9/c1-18(2)8-5-4-6-9-21-28(46)40-24(12-19(32)14-34-40)29(47)39-22(10-7-11-33-39)27(45)37-31(3,17-41)30(48)49-16-25(43)38-23(26(44)36-21)13-20(42)15-35-38/h4-6,8,18-24,33-35,41-42H,7,9-17H2,1-3H3,(H,36,44)(H,37,45)/b6-4+,8-5+/t19-,20+,21-,22-,23+,24+,31-/m0/s1 > <INCHI_KEY> JQWUSEVRGIXWTP-HOEXFSFOSA-N > <FORMULA> C31H47ClN8O9 > <MOLECULAR_WEIGHT> 711.21 > <EXACT_MASS> 710.3154528 > <JCHEM_ACCEPTOR_COUNT> 11 > <JCHEM_ATOM_COUNT> 96 > <JCHEM_AVERAGE_POLARIZABILITY> 71.93422134763897 > <JCHEM_BIOAVAILABILITY> 0 > <JCHEM_DONOR_COUNT> 7 > <JCHEM_FORMAL_CHARGE> 0 > <JCHEM_GHOSE_FILTER> 0 > <JCHEM_IUPAC> (3R,5S,10S,13R,15R,23S,26S)-5-chloro-15-hydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone > <ALOGPS_LOGP> -0.64 > <JCHEM_LOGP> -2.376553915999999 > <ALOGPS_LOGS> -2.63 > <JCHEM_MDDR_LIKE_RULE> 0 > <JCHEM_NUMBER_OF_RINGS> 4 > <JCHEM_PHYSIOLOGICAL_CHARGE> 0 > <JCHEM_PKA> 11.115843955182907 > <JCHEM_PKA_STRONGEST_ACIDIC> 10.33659069129602 > <JCHEM_PKA_STRONGEST_BASIC> 4.316841471407913 > <JCHEM_POLAR_SURFACE_AREA> 221.98 > <JCHEM_REFRACTIVITY> 208.40729999999996 > <JCHEM_ROTATABLE_BOND_COUNT> 5 > <JCHEM_RULE_OF_FIVE> 0 > <ALOGPS_SOLUBILITY> 1.65e+00 g/l > <JCHEM_TRADITIONAL_IUPAC> (3R,5S,10S,13R,15R,23S,26S)-5-chloro-15-hydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone > <JCHEM_VEBER_RULE> 0 $$$$ 3D-SDF for NP0006825 (Piperazimycin B)RDKit 3D 96 99 0 0 0 0 0 0 0 0999 V2000 8.5837 -0.1210 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5683 -1.0020 0.6765 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8030 -2.4291 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2059 -0.5898 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 -0.2119 1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9813 0.1993 0.7159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0766 0.5858 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7033 1.0134 1.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 0.9006 -0.1321 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0102 1.4093 -0.4199 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4796 2.7192 -0.3947 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 3.2125 -1.4165 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3745 3.7429 0.6640 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8316 4.6217 0.4451 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5512 6.0840 0.3463 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2207 6.4095 -0.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4556 6.5975 1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3974 5.5966 1.7585 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5505 4.5902 0.7605 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 4.5603 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 5.6518 -0.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 3.4268 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 2.2689 0.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9427 1.0864 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9579 0.5007 1.7504 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6312 0.3843 -0.4959 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9153 0.5976 -1.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9914 1.1015 -0.6575 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7394 1.0433 0.5093 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -1.0182 -0.1704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4504 -2.1770 -0.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3714 -2.9134 -1.3141 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 -2.7362 -0.9235 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2937 -4.2518 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7856 -4.8316 0.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1049 -4.3496 1.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -2.9035 1.3964 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2641 -2.5688 0.2444 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9409 -2.1670 0.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8317 -1.2004 1.2349 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -2.6641 -0.1331 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1087 -3.6694 -1.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4446 -3.8534 -1.9326 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5170 -5.4506 -2.7011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5788 -3.7314 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6527 -2.4638 -0.3265 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3728 -1.7522 -0.4130 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4843 -0.4244 -0.7774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8203 -0.2642 -2.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 0.7690 0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5040 -0.6773 -0.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 0.1851 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7247 -0.8294 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9181 -2.8158 -0.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 -3.0505 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7132 -2.5125 -0.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9044 -0.5915 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5846 -0.1884 2.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7528 0.1891 -0.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4453 0.5696 2.6267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 2.0920 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 0.4108 1.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0192 1.6226 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 0.6757 -0.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 3.2529 1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3281 4.2814 -0.4863 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 4.4282 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5118 6.6190 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 5.8803 -1.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0351 7.4094 0.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 7.0400 2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0816 5.1857 2.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7050 3.7196 0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8598 3.2905 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8588 0.8521 -1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 1.3197 -2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9746 -0.3743 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 2.1038 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5583 0.4422 -1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2259 0.7069 1.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5353 -1.1145 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -2.3004 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4649 -4.8086 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1243 -4.3491 -1.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8894 -4.7628 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -5.9432 0.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0901 -4.7752 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7412 -4.6206 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 -2.4453 2.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -3.3378 0.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -3.3085 -2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.6340 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -3.1044 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -3.8420 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 -4.5944 -0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -2.6245 0.7023 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 6 26 28 1 0 28 29 1 0 26 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 9 1 0 19 13 1 0 38 33 1 0 47 41 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 1 3 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 6 10 64 1 0 13 65 1 1 14 66 1 0 14 67 1 0 15 68 1 1 16 69 1 0 17 70 1 0 17 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 27 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 30 81 1 0 33 82 1 6 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 41 90 1 1 42 91 1 0 42 92 1 0 43 93 1 6 45 94 1 0 45 95 1 0 46 96 1 0 M END PDB for NP0006825 (Piperazimycin B)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 8.584 -0.121 -0.042 0.00 0.00 C+0 HETATM 2 C UNK 0 7.568 -1.002 0.677 0.00 0.00 C+0 HETATM 3 C UNK 0 7.803 -2.429 0.255 0.00 0.00 C+0 HETATM 4 C UNK 0 6.206 -0.590 0.245 0.00 0.00 C+0 HETATM 5 C UNK 0 5.342 -0.212 1.151 0.00 0.00 C+0 HETATM 6 C UNK 0 3.981 0.199 0.716 0.00 0.00 C+0 HETATM 7 C UNK 0 3.077 0.586 1.572 0.00 0.00 C+0 HETATM 8 C UNK 0 1.703 1.013 1.289 0.00 0.00 C+0 HETATM 9 C UNK 0 1.328 0.901 -0.132 0.00 0.00 C+0 HETATM 10 N UNK 0 -0.010 1.409 -0.420 0.00 0.00 N+0 HETATM 11 C UNK 0 -0.480 2.719 -0.395 0.00 0.00 C+0 HETATM 12 O UNK 0 -1.125 3.212 -1.417 0.00 0.00 O+0 HETATM 13 C UNK 0 -0.375 3.743 0.664 0.00 0.00 C+0 HETATM 14 C UNK 0 0.832 4.622 0.445 0.00 0.00 C+0 HETATM 15 C UNK 0 0.551 6.084 0.346 0.00 0.00 C+0 HETATM 16 O UNK 0 0.221 6.410 -0.965 0.00 0.00 O+0 HETATM 17 C UNK 0 -0.456 6.598 1.325 0.00 0.00 C+0 HETATM 18 N UNK 0 -1.397 5.597 1.759 0.00 0.00 N+0 HETATM 19 N UNK 0 -1.551 4.590 0.761 0.00 0.00 N+0 HETATM 20 C UNK 0 -2.738 4.560 0.056 0.00 0.00 C+0 HETATM 21 O UNK 0 -3.132 5.652 -0.501 0.00 0.00 O+0 HETATM 22 C UNK 0 -3.675 3.427 -0.172 0.00 0.00 C+0 HETATM 23 O UNK 0 -3.318 2.269 0.497 0.00 0.00 O+0 HETATM 24 C UNK 0 -3.943 1.086 0.610 0.00 0.00 C+0 HETATM 25 O UNK 0 -3.958 0.501 1.750 0.00 0.00 O+0 HETATM 26 C UNK 0 -4.631 0.384 -0.496 0.00 0.00 C+0 HETATM 27 C UNK 0 -3.915 0.598 -1.781 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.991 1.101 -0.658 0.00 0.00 C+0 HETATM 29 O UNK 0 -6.739 1.043 0.509 0.00 0.00 O+0 HETATM 30 N UNK 0 -4.887 -1.018 -0.170 0.00 0.00 N+0 HETATM 31 C UNK 0 -4.450 -2.177 -0.778 0.00 0.00 C+0 HETATM 32 O UNK 0 -5.371 -2.913 -1.314 0.00 0.00 O+0 HETATM 33 C UNK 0 -3.071 -2.736 -0.924 0.00 0.00 C+0 HETATM 34 C UNK 0 -3.294 -4.252 -1.065 0.00 0.00 C+0 HETATM 35 C UNK 0 -3.786 -4.832 0.212 0.00 0.00 C+0 HETATM 36 C UNK 0 -3.105 -4.350 1.454 0.00 0.00 C+0 HETATM 37 N UNK 0 -3.083 -2.904 1.396 0.00 0.00 N+0 HETATM 38 N UNK 0 -2.264 -2.569 0.244 0.00 0.00 N+0 HETATM 39 C UNK 0 -0.941 -2.167 0.429 0.00 0.00 C+0 HETATM 40 O UNK 0 -0.832 -1.200 1.235 0.00 0.00 O+0 HETATM 41 C UNK 0 0.301 -2.664 -0.133 0.00 0.00 C+0 HETATM 42 C UNK 0 0.109 -3.669 -1.255 0.00 0.00 C+0 HETATM 43 C UNK 0 1.445 -3.853 -1.933 0.00 0.00 C+0 HETATM 44 Cl UNK 0 1.517 -5.451 -2.701 0.00 0.00 Cl+0 HETATM 45 C UNK 0 2.579 -3.731 -0.972 0.00 0.00 C+0 HETATM 46 N UNK 0 2.653 -2.464 -0.327 0.00 0.00 N+0 HETATM 47 N UNK 0 1.373 -1.752 -0.413 0.00 0.00 N+0 HETATM 48 C UNK 0 1.484 -0.424 -0.777 0.00 0.00 C+0 HETATM 49 O UNK 0 1.820 -0.264 -2.048 0.00 0.00 O+0 HETATM 50 H UNK 0 8.807 0.769 0.567 0.00 0.00 H+0 HETATM 51 H UNK 0 9.504 -0.677 -0.276 0.00 0.00 H+0 HETATM 52 H UNK 0 8.144 0.185 -1.017 0.00 0.00 H+0 HETATM 53 H UNK 0 7.725 -0.829 1.760 0.00 0.00 H+0 HETATM 54 H UNK 0 6.918 -2.816 -0.317 0.00 0.00 H+0 HETATM 55 H UNK 0 7.947 -3.050 1.181 0.00 0.00 H+0 HETATM 56 H UNK 0 8.713 -2.513 -0.367 0.00 0.00 H+0 HETATM 57 H UNK 0 5.904 -0.592 -0.778 0.00 0.00 H+0 HETATM 58 H UNK 0 5.585 -0.188 2.200 0.00 0.00 H+0 HETATM 59 H UNK 0 3.753 0.189 -0.332 0.00 0.00 H+0 HETATM 60 H UNK 0 3.445 0.570 2.627 0.00 0.00 H+0 HETATM 61 H UNK 0 1.698 2.092 1.617 0.00 0.00 H+0 HETATM 62 H UNK 0 1.056 0.411 1.958 0.00 0.00 H+0 HETATM 63 H UNK 0 2.019 1.623 -0.658 0.00 0.00 H+0 HETATM 64 H UNK 0 -0.694 0.676 -0.693 0.00 0.00 H+0 HETATM 65 H UNK 0 -0.306 3.253 1.643 0.00 0.00 H+0 HETATM 66 H UNK 0 1.328 4.281 -0.486 0.00 0.00 H+0 HETATM 67 H UNK 0 1.548 4.428 1.270 0.00 0.00 H+0 HETATM 68 H UNK 0 1.512 6.619 0.556 0.00 0.00 H+0 HETATM 69 H UNK 0 -0.494 5.880 -1.352 0.00 0.00 H+0 HETATM 70 H UNK 0 -1.035 7.409 0.841 0.00 0.00 H+0 HETATM 71 H UNK 0 0.002 7.040 2.240 0.00 0.00 H+0 HETATM 72 H UNK 0 -1.082 5.186 2.655 0.00 0.00 H+0 HETATM 73 H UNK 0 -4.705 3.720 0.209 0.00 0.00 H+0 HETATM 74 H UNK 0 -3.860 3.291 -1.280 0.00 0.00 H+0 HETATM 75 H UNK 0 -2.859 0.852 -1.705 0.00 0.00 H+0 HETATM 76 H UNK 0 -4.432 1.320 -2.482 0.00 0.00 H+0 HETATM 77 H UNK 0 -3.975 -0.374 -2.355 0.00 0.00 H+0 HETATM 78 H UNK 0 -5.904 2.104 -1.054 0.00 0.00 H+0 HETATM 79 H UNK 0 -6.558 0.442 -1.387 0.00 0.00 H+0 HETATM 80 H UNK 0 -6.226 0.707 1.271 0.00 0.00 H+0 HETATM 81 H UNK 0 -5.535 -1.115 0.679 0.00 0.00 H+0 HETATM 82 H UNK 0 -2.682 -2.300 -1.842 0.00 0.00 H+0 HETATM 83 H UNK 0 -2.465 -4.809 -1.450 0.00 0.00 H+0 HETATM 84 H UNK 0 -4.124 -4.349 -1.814 0.00 0.00 H+0 HETATM 85 H UNK 0 -4.889 -4.763 0.327 0.00 0.00 H+0 HETATM 86 H UNK 0 -3.587 -5.943 0.159 0.00 0.00 H+0 HETATM 87 H UNK 0 -2.090 -4.775 1.591 0.00 0.00 H+0 HETATM 88 H UNK 0 -3.741 -4.621 2.326 0.00 0.00 H+0 HETATM 89 H UNK 0 -2.742 -2.445 2.241 0.00 0.00 H+0 HETATM 90 H UNK 0 0.697 -3.338 0.715 0.00 0.00 H+0 HETATM 91 H UNK 0 -0.565 -3.309 -2.058 0.00 0.00 H+0 HETATM 92 H UNK 0 -0.176 -4.634 -0.841 0.00 0.00 H+0 HETATM 93 H UNK 0 1.596 -3.104 -2.750 0.00 0.00 H+0 HETATM 94 H UNK 0 3.527 -3.842 -1.576 0.00 0.00 H+0 HETATM 95 H UNK 0 2.594 -4.594 -0.277 0.00 0.00 H+0 HETATM 96 H UNK 0 2.744 -2.624 0.702 0.00 0.00 H+0 CONECT 1 2 50 51 52 CONECT 2 1 3 4 53 CONECT 3 2 54 55 56 CONECT 4 2 5 57 CONECT 5 4 6 58 CONECT 6 5 7 59 CONECT 7 6 8 60 CONECT 8 7 9 61 62 CONECT 9 8 10 48 63 CONECT 10 9 11 64 CONECT 11 10 12 13 CONECT 12 11 CONECT 13 11 14 19 65 CONECT 14 13 15 66 67 CONECT 15 14 16 17 68 CONECT 16 15 69 CONECT 17 15 18 70 71 CONECT 18 17 19 72 CONECT 19 18 20 13 CONECT 20 19 21 22 CONECT 21 20 CONECT 22 20 23 73 74 CONECT 23 22 24 CONECT 24 23 25 26 CONECT 25 24 CONECT 26 24 27 28 30 CONECT 27 26 75 76 77 CONECT 28 26 29 78 79 CONECT 29 28 80 CONECT 30 26 31 81 CONECT 31 30 32 33 CONECT 32 31 CONECT 33 31 34 38 82 CONECT 34 33 35 83 84 CONECT 35 34 36 85 86 CONECT 36 35 37 87 88 CONECT 37 36 38 89 CONECT 38 37 39 33 CONECT 39 38 40 41 CONECT 40 39 CONECT 41 39 42 47 90 CONECT 42 41 43 91 92 CONECT 43 42 44 45 93 CONECT 44 43 CONECT 45 43 46 94 95 CONECT 46 45 47 96 CONECT 47 46 48 41 CONECT 48 47 49 9 CONECT 49 48 CONECT 50 1 CONECT 51 1 CONECT 52 1 CONECT 53 2 CONECT 54 3 CONECT 55 3 CONECT 56 3 CONECT 57 4 CONECT 58 5 CONECT 59 6 CONECT 60 7 CONECT 61 8 CONECT 62 8 CONECT 63 9 CONECT 64 10 CONECT 65 13 CONECT 66 14 CONECT 67 14 CONECT 68 15 CONECT 69 16 CONECT 70 17 CONECT 71 17 CONECT 72 18 CONECT 73 22 CONECT 74 22 CONECT 75 27 CONECT 76 27 CONECT 77 27 CONECT 78 28 CONECT 79 28 CONECT 80 29 CONECT 81 30 CONECT 82 33 CONECT 83 34 CONECT 84 34 CONECT 85 35 CONECT 86 35 CONECT 87 36 CONECT 88 36 CONECT 89 37 CONECT 90 41 CONECT 91 42 CONECT 92 42 CONECT 93 43 CONECT 94 45 CONECT 95 45 CONECT 96 46 MASTER 0 0 0 0 0 0 0 0 96 0 198 0 END SMILES for NP0006825 (Piperazimycin B)[H]OC([H])([H])[C@@]1(N([H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@@]([H])(Cl)C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@]2([H])N(N([H])C([H])([H])[C@]([H])(O[H])C2([H])[H])C(=O)C([H])([H])OC1=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] INCHI for NP0006825 (Piperazimycin B)InChI=1S/C31H47ClN8O9/c1-18(2)8-5-4-6-9-21-28(46)40-24(12-19(32)14-34-40)29(47)39-22(10-7-11-33-39)27(45)37-31(3,17-41)30(48)49-16-25(43)38-23(26(44)36-21)13-20(42)15-35-38/h4-6,8,18-24,33-35,41-42H,7,9-17H2,1-3H3,(H,36,44)(H,37,45)/b6-4+,8-5+/t19-,20+,21-,22-,23+,24+,31-/m0/s1 3D Structure for NP0006825 (Piperazimycin B) | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Synonyms | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Formula | C31H47ClN8O9 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Average Mass | 711.2100 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Monoisotopic Mass | 710.31545 Da | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
IUPAC Name | (3R,5S,10S,13R,15R,23S,26S)-5-chloro-15-hydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Traditional Name | (3R,5S,10S,13R,15R,23S,26S)-5-chloro-15-hydroxy-23-(hydroxymethyl)-23-methyl-10-[(2E,4E)-6-methylhepta-2,4-dien-1-yl]-21-oxa-1,7,8,11,17,18,24,30-octaazatetracyclo[24.4.0.0^{3,8}.0^{13,18}]triacontane-2,9,12,19,22,25-hexone | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
CAS Registry Number | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
SMILES | CC(C)\C=C\C=C\C[C@@H]1NC(=O)[C@H]2C[C@@H](O)CNN2C(=O)COC(=O)[C@](C)(CO)NC(=O)[C@@H]2CCCNN2C(=O)[C@H]2C[C@H](Cl)CNN2C1=O | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Identifier | InChI=1S/C31H47ClN8O9/c1-18(2)8-5-4-6-9-21-28(46)40-24(12-19(32)14-34-40)29(47)39-22(10-7-11-33-39)27(45)37-31(3,17-41)30(48)49-16-25(43)38-23(26(44)36-21)13-20(42)15-35-38/h4-6,8,18-24,33-35,41-42H,7,9-17H2,1-3H3,(H,36,44)(H,37,45)/b6-4+,8-5+/t19-,20+,21-,22-,23+,24+,31-/m0/s1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
InChI Key | JQWUSEVRGIXWTP-HOEXFSFOSA-N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Spectra | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Shift Submissions | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Not Available | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Species of Origin |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemical Taxonomy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Classification | Not classified | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Physical Properties | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
State | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Experimental Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Predicted Properties |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
External Links | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NPAtlas ID | NPA015120 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HMDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DrugBank ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Phenol Explorer Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FoodDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KNApSAcK ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Chemspider ID | 17261130 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
KEGG Compound ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BioCyc ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
BiGG ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Wikipedia Link | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
METLIN ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PubChem Compound | 16103270 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
PDB ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
ChEBI ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Good Scents ID | Not Available | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||
References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
General References |
|