Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020423
PROPERTIES
| NPAID | NPA020423 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | A-54145 B1 |
| FORMULA | C73H111N17O27 |
| MOLECULAR WEIGHT (Da) | 1658.7830 |
| ACCURATE MASS (Da) | 1657.7835 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | CBNVAXBNVYSAHR-KRNKDTLPSA-N |
| InChI | InChI=1S/C73H111N17O27/c1-10-35(4)55-73(115)117-38(7)56(87-70(111)57(59(101)61(76)102)88-64(105)43(24-25-51(95)96)83-65(106)44(28-39-31-77-41-21-16-15-20-40(39)41)80-48(92)23-14-12-11-13-19-34(2)3)71(112)90(8)33-50(94)79-37(6)62(103)84-46(30-53(99)100)66(107)82-42(22-17-18-26-74)63(104)89-58(60(116-9)72(113)114)68(109)78-32-49(93)81-45(29-47(75)91)67(108)85-54(69(110)86-55)36(5)27-52(97)98/h15-16,20-21,31,34-38,42-46,54-60,77,101H,10-14,17-19,22-30,32-33,74H2,1-9H3,(H2,75,91)(H2,76,102)(H,78,109)(H,79,94)(H,80,92)(H,81,93)(H,82,107)(H,83,106)(H,84,103)(H,85,108)(H,86,110)(H,87,111)(H,88,105)(H,89,104)(H,95,96)(H,97,98)(H,99,100)(H,113,114)/t35-,36+,37-,38+,42+,43+,44-,45+,46-,54-,55-,56-,57-,58-,59+,60+/m0/s1 |
| SMILES | CC(C)CCCCCCC(N[C@H](C(N[C@@H](C(N[C@H](C(N[C@H]1[C@@H](C)OC([C@H]([C@H](CC)C)NC([C@H]([C@@H](CC(O)=O)C)NC([C@@H](CC(N)=O)NC(CNC([C@H]([C@@H](OC)C(O)=O)NC([C@@H](CCCCN)NC([C@H](CC(O)=O)NC([C@H](C)NC(CN(C)C1=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@@H](O)C(N)=O)=O)CCC(O)=O)=O)CC2=CNC3=CC=CC=C32)=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Fukuda, DS; Du Bus, RH; Baker, PJ; Berry, DM; Mynderse, JS A54145, a new lipopeptide antibiotic complex: isolation and characterization Journal of Antibiotics 1990 43 (6) 564-600. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.43.594 | PMID | 2380107 |
