Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA017094
PROPERTIES
| NPAID | NPA017094 |
|---|---|
| CLUSTER ID | 5785 |
| NODE ID | 141 |
| NAME | Lysobactin |
| FORMULA | C58H97N15O17 |
| MOLECULAR WEIGHT (Da) | 1276.5020 |
| ACCURATE MASS (Da) | 1275.7187 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Lysobacter |
| ORIGIN SPECIES | sp ATCC 53042 |
| InChIKey | KQMKBWMQSNKASI-AVSFGBOWSA-N |
| InChI | InChI=1S/C58H97N15O17/c1-12-30(10)39-53(85)71-40(31(11)75)52(84)64-24-38(76)69-42(45(78)47(60)79)55(87)68-37(25-74)57(89)90-46(32-17-14-13-15-18-32)43(73-51(83)36(23-28(6)7)66-48(80)33(59)21-26(2)3)56(88)72-41(44(77)29(8)9)54(86)67-35(22-27(4)5)50(82)65-34(49(81)70-39)19-16-20-63-58(61)62/h13-15,17-18,26-31,33-37,39-46,74-75,77-78H,12,16,19-25,59H2,1-11H3,(H2,60,79)(H,64,84)(H,65,82)(H,66,80)(H,67,86)(H,68,87)(H,69,76)(H,70,81)(H,71,85)(H,72,88)(H,73,83)(H4,61,62,63)/t30-,31-,33+,34+,35-,36-,37-,39-,40-,41-,42-,43-,44+,45-,46+/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N1)CCCN=C(N)N)CC(C)C)[C@@H](C(C)C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)N)C2=CC=CC=C2)CO)[C@@H](C(=O)N)O)[C@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | O'Sullivan, J; McCullough, J E; Tymiak, A A; Kirsch, D R; Trejo, W H; Principe, P A Lysobactin, a novel antibacterial agent produced by Lysobacter sp. I. Taxonomy, isolation and partial characterization Journal of Antibiotics 1988 41 (12) 1740-1744. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.41.1740 | PMID | 3209465 |
SYNTHESES
| CITATION 1 | von Nussbaum F; Anlauf S; Benet-Buchholz J; Häbich D; Köbberling J; Musza L; Telser J; Rübsamen-Waigmann H; Brunner NA Structure and total synthesis of lysobactin (katanosin B). Angewandte Chemie International Edition 2007 46 (12) 2039-2042. DOI: 10.1002/anie.200604232 PMID: 17211904 | ||
|---|---|---|---|
| CITATION 2 | Guzman-Martinez A; Lamer R; VanNieuwenhze MS Total synthesis of lysobactin. Journal of the American Chemical Society 2007 129 (18) 6017-6021. DOI: 10.1021/ja067648h PMID: 17432854 | ||
