Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020421
PROPERTIES
| NPAID | NPA020421 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | A-54145 A1 |
| FORMULA | C72H109N17O27 |
| MOLECULAR WEIGHT (Da) | 1644.7560 |
| ACCURATE MASS (Da) | 1643.7679 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | FHVNZVVZQZCWNH-VLTLAPJDSA-N |
| InChI | InChI=1S/C72H109N17O27/c1-8-10-11-12-13-14-15-23-48(91)79-44(29-38-32-76-40-21-17-16-20-39(38)40)65(106)82-43(25-27-52(96)97)64(105)87-56(58(100)60(75)101)69(110)86-55-37(5)116-72(114)54(35(3)9-2)85-63(104)42(24-26-51(94)95)83-66(107)45(30-47(74)90)80-49(92)33-77-68(109)57(59(115-7)71(112)113)88-62(103)41(22-18-19-28-73)81-67(108)46(31-53(98)99)84-61(102)36(4)78-50(93)34-89(6)70(55)111/h16-17,20-21,32,35-37,41-46,54-59,76,100H,8-15,18-19,22-31,33-34,73H2,1-7H3,(H2,74,90)(H2,75,101)(H,77,109)(H,78,93)(H,79,91)(H,80,92)(H,81,108)(H,82,106)(H,83,107)(H,84,102)(H,85,104)(H,86,110)(H,87,105)(H,88,103)(H,94,95)(H,96,97)(H,98,99)(H,112,113)/t35-,36-,37+,41+,42-,43+,44-,45+,46-,54-,55-,56-,57-,58+,59+/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](CCC(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)CCCCCCCCC |
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 |
