Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020422
PROPERTIES
| NPAID | NPA020422 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | A-54145 B |
| FORMULA | C73H111N17O27 |
| MOLECULAR WEIGHT (Da) | 1658.7830 |
| ACCURATE MASS (Da) | 1657.7835 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | IXYMYSZPMWIOEU-KRNKDTLPSA-N |
| InChI | InChI=1S/C73H111N17O27/c1-9-11-12-13-14-15-16-24-48(92)80-44(29-39-32-77-41-22-18-17-21-40(39)41)65(106)83-43(25-26-51(95)96)64(105)88-57(59(101)61(76)102)70(111)87-56-38(6)117-73(115)55(35(3)10-2)86-69(110)54(36(4)28-52(97)98)85-67(108)45(30-47(75)91)81-49(93)33-78-68(109)58(60(116-8)72(113)114)89-63(104)42(23-19-20-27-74)82-66(107)46(31-53(99)100)84-62(103)37(5)79-50(94)34-90(7)71(56)112/h17-18,21-22,32,35-38,42-46,54-60,77,101H,9-16,19-20,23-31,33-34,74H2,1-8H3,(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 | CCCCCCCCCC(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 |
