Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020426
PROPERTIES
| NPAID | NPA020426 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | A-54145 E |
| FORMULA | C74H113N17O27 |
| MOLECULAR WEIGHT (Da) | 1672.8100 |
| ACCURATE MASS (Da) | 1671.7992 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | PULXIWZYVCSTMS-PERFNXGSSA-N |
| InChI | InChI=1S/C74H113N17O27/c1-10-35(3)20-14-12-13-15-24-49(93)81-45(29-40-32-78-42-22-17-16-21-41(40)42)66(107)84-44(25-26-52(96)97)65(106)89-58(60(102)62(77)103)71(112)88-57-39(7)118-74(116)56(36(4)11-2)87-70(111)55(37(5)28-53(98)99)86-68(109)46(30-48(76)92)82-50(94)33-79-69(110)59(61(117-9)73(114)115)90-64(105)43(23-18-19-27-75)83-67(108)47(31-54(100)101)85-63(104)38(6)80-51(95)34-91(8)72(57)113/h16-17,21-22,32,35-39,43-47,55-61,78,102H,10-15,18-20,23-31,33-34,75H2,1-9H3,(H2,76,92)(H2,77,103)(H,79,110)(H,80,95)(H,81,93)(H,82,94)(H,83,108)(H,84,107)(H,85,104)(H,86,109)(H,87,111)(H,88,112)(H,89,106)(H,90,105)(H,96,97)(H,98,99)(H,100,101)(H,114,115)/t35?,36-,37+,38-,39+,43+,44+,45-,46+,47-,55-,56-,57-,58-,59-,60+,61+/m0/s1 |
| SMILES | O=C(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](C)CC(O)=O)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)CCCCCCC(C)CC |
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 |
