Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020420
PROPERTIES
| NPAID | NPA020420 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | A-54145 A |
| FORMULA | C72H109N17O27 |
| MOLECULAR WEIGHT (Da) | 1644.7560 |
| ACCURATE MASS (Da) | 1643.7679 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | SSLAXQGCYJCORX-VLTLAPJDSA-N |
| InChI | InChI=1S/C72H109N17O27/c1-9-35(4)54-72(114)116-37(6)55(86-69(110)56(58(100)60(75)101)87-64(105)43(24-26-52(96)97)82-65(106)44(28-38-31-76-40-20-15-14-19-39(38)40)79-48(91)22-13-11-10-12-18-34(2)3)70(111)89(7)33-50(93)78-36(5)61(102)84-46(30-53(98)99)67(108)81-41(21-16-17-27-73)62(103)88-57(59(115-8)71(112)113)68(109)77-32-49(92)80-45(29-47(74)90)66(107)83-42(63(104)85-54)23-25-51(94)95/h14-15,19-20,31,34-37,41-46,54-59,76,100H,9-13,16-18,21-30,32-33,73H2,1-8H3,(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 | 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](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)=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 |
