Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019734
PROPERTIES
| NPAID | NPA019734 |
|---|---|
| CLUSTER ID | 225 |
| NODE ID | 141 |
| NAME | CB-182333 |
| FORMULA | C72H109N17O26 |
| MOLECULAR WEIGHT (Da) | 1628.7570 |
| ACCURATE MASS (Da) | 1627.7730 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | fradiae |
| InChIKey | BBLKNYOAWQBWSP-QFDKOERDSA-N |
| InChI | InChI=1S/C72H109N17O26/c1-8-35(3)18-12-10-11-13-22-50(91)79-45(28-39-32-76-41-20-15-14-19-40(39)41)67(109)82-44(24-26-54(96)97)66(108)88-59(60(102)61(75)103)70(112)87-58-38(6)115-72(114)57(36(4)9-2)86-65(107)43(23-25-53(94)95)83-68(110)46(29-49(74)90)80-51(92)33-77-63(105)47(30-55(98)99)85-64(106)42(21-16-17-27-73)81-69(111)48(31-56(100)101)84-62(104)37(5)78-52(93)34-89(7)71(58)113/h14-15,19-20,32,35-38,42-48,57-60,76,102H,8-13,16-18,21-31,33-34,73H2,1-7H3,(H2,74,90)(H2,75,103)(H,77,105)(H,78,93)(H,79,91)(H,80,92)(H,81,111)(H,82,109)(H,83,110)(H,84,104)(H,85,106)(H,86,107)(H,87,112)(H,88,108)(H,94,95)(H,96,97)(H,98,99)(H,100,101)/t35?,36?,37-,38+,42+,43?,44+,45-,46+,47-,48-,57-,58-,59-,60?/m0/s1 |
| SMILES | CCC(C)CCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H](C(O)C(N)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](NC(=O)C(CCC(O)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)CN(C)C1=O)C(C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Alexander, Dylan C; Rock, Jessica; Gu, Jian-Qiao; Mascio, Carmela; Chu, Min; Brian, Paul; Baltz, Richard H Production of novel lipopeptide antibiotics related to A54145 by Streptomyces fradiae mutants blocked in biosynthesis of modified amino acids and assignment of lptJ, lptK and lptL gene functions Journal of Antibiotics 2011 64 (1) 79. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2010.138 | PMID | 21102596 |
