Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028410
PROPERTIES
| NPAID | NPA028410 |
|---|---|
| CLUSTER ID | 8498 |
| NODE ID | 141 |
| NAME | Lagmysin |
| FORMULA | C67H109N19O21 |
| MOLECULAR WEIGHT (Da) | 1516.7210 |
| ACCURATE MASS (Da) | 1515.8045 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. NRRL S-118 |
| InChIKey | ZTQPYZKGVGYZEI-MIHBLRRSSA-N |
| InChI | InChI=1S/C67H109N19O21/c1-32(2)17-40(58(97)72-25-52(91)70-26-53(92)78-44(22-38-24-69-31-74-38)62(101)85-47(29-87)64(103)82-43(20-35(7)8)61(100)84-46(67(106)107)21-36(9)10)80-60(99)42(19-34(5)6)81-63(102)45-23-51(90)77-41(18-33(3)4)59(98)75-37(11)56(95)71-27-54(93)76-39(14-15-50(68)89)57(96)73-28-55(94)79-48(30-88)66(105)86-16-12-13-49(86)65(104)83-45/h24,31-37,39-49,87-88H,12-23,25-30H2,1-11H3,(H2,68,89)(H,69,74)(H,70,91)(H,71,95)(H,72,97)(H,73,96)(H,75,98)(H,76,93)(H,77,90)(H,78,92)(H,79,94)(H,80,99)(H,81,102)(H,82,103)(H,83,104)(H,84,100)(H,85,101)(H,106,107)/t37-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=C[NH]1)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N1)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tietz JI; Schwalen CJ; Patel PS; Maxson T; Blair PM; Tai HC; Zakai UI; Mitchell DA A new genome-mining tool redefines the lasso peptide biosynthetic landscape. Nature Chemical Biology 2017 13 (5) 470-478. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.2319 | PMID | 28244986 |
