Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013751
PROPERTIES
| NPAID | NPA013751 |
|---|---|
| CLUSTER ID | 5017 |
| NODE ID | 143 |
| NAME | Teixobactin |
| FORMULA | C58H95N15O15 |
| MOLECULAR WEIGHT (Da) | 1242.4880 |
| ACCURATE MASS (Da) | 1241.7132 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | LMBFAGIMSUYTBN-IIRRRCHSSA-N |
| InChI | InChI=1S/C58H95N15O15/c1-12-28(5)42(70-49(79)37(61-11)23-34-19-17-16-18-20-34)53(83)67-39(26-74)51(81)65-36(21-22-41(59)76)48(78)69-44(30(7)14-3)55(85)71-43(29(6)13-2)54(84)68-40(27-75)52(82)73-46-33(10)88-57(87)45(31(8)15-4)72-50(80)38(24-35-25-62-58(60)64-35)66-47(77)32(9)63-56(46)86/h16-20,28-33,35-40,42-46,61,74-75H,12-15,21-27H2,1-11H3,(H2,59,76)(H,63,86)(H,65,81)(H,66,77)(H,67,83)(H,68,84)(H,69,78)(H,70,79)(H,71,85)(H,72,80)(H,73,82)(H3,60,62,64)/t28-,29-,30+,31-,32-,33-,35-,36+,37+,38-,39-,40-,42-,43-,44+,45-,46+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C[C@H]2CN=C(N2)N)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]([C@H](C)CC)NC(=O)[C@@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC3=CC=CC=C3)NC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ling, Losee L.; Schneider, Tanja; Peoples, Aaron J.; Spoering, Amy L.; Engels, Ina; Conlon, Brian P.; Mueller, Anna; Schäberle, Till F.; Hughes, Dallas E.; Epstein, Slava; Jones, Michael; Lazarides, Linos; Steadman, Victoria A.; Cohen, Douglas R.; Felix, Cintia R.; Fetterman, K. Ashley; Millett, William P.; Nitti, Anthony G.; Zullo, Ashley M.; Chen, Chao; Lewis, Kim A new antibiotic kills pathogens without detectable resistance Nature 2015 517 (7535) 455-459. | ||
|---|---|---|---|
| DOI | 10.1038/nature14098 | PMID | 25561178 |
