Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002933
PROPERTIES
| NPAID | NPA002933 |
|---|---|
| CLUSTER ID | 1685 |
| NODE ID | 1376 |
| NAME | Peptidolipin E |
| FORMULA | C61H109N7O11 |
| MOLECULAR WEIGHT (Da) | 1116.5810 |
| ACCURATE MASS (Da) | 1115.8185 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | sp. |
| InChIKey | FDSYBTTXIDEREA-XWTMVZHXSA-N |
| InChI | InChI=1S/C61H109N7O11/c1-12-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-37-47-40-49(70)63-53(45(9)69)59(75)65-50(41(3)4)56(72)62-44(8)60(76)68-39-36-38-48(68)55(71)66-52(43(7)13-2)58(74)64-51(42(5)6)57(73)67-54(46(10)78-11)61(77)79-47/h20-21,41-48,50-54,69H,12-19,22-40H2,1-11H3,(H,62,72)(H,63,70)(H,64,74)(H,65,75)(H,66,71)(H,67,73)/b21-20-/t43-,44-,45+,46+,47+,48+,50-,51-,52+,53-,54-/m0/s1 |
| SMILES | CCCCCCCC/C=C\CCCCCCCCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)[C@@H](C)OC)C(C)C)[C@@H](C)CC)C)C(C)C)[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wyche, Thomas P.; Hou, Yanpeng; Vazquez-Rivera, Emmanuel; Braun, Doug; Bugni, Tim S. Peptidolipins B-F, Antibacterial Lipopeptides from an Ascidian-Derived Nocardia sp Journal of Natural Products 2012 75 (4) 735-740. | ||
|---|---|---|---|
| DOI | 10.1021/np300016r | PMID | 22482367 |
