Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032080
PROPERTIES
| NPAID | NPA032080 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Isopedopeptin C |
| FORMULA | C54H88N12O15 |
| MOLECULAR WEIGHT (Da) | 1145.3670 |
| ACCURATE MASS (Da) | 1144.6492 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pedobacter |
| ORIGIN SPECIES | cryoconitis UP508 |
| InChIKey | YIJSLKIHJANERO-JQJMPZNNSA-N |
| InChI | InChI=1S/C54H88N12O15/c1-8-10-11-12-13-14-18-21-33-26-41(68)58-39(28-56)49(75)61-36(24-30(3)4)47(73)60-35(22-23-55)46(72)59-34(9-2)45(71)65-43(31(5)67)51(77)64-40(29-57)50(76)62-37(25-32-19-16-15-17-20-32)48(74)66-44(54(6,7)80)52(78)63-38(27-42(69)70)53(79)81-33/h9,15-17,19-20,30-31,33,35-40,43-44,67,80H,8,10-14,18,21-29,55-57H2,1-7H3,(H,58,68)(H,59,72)(H,60,73)(H,61,75)(H,62,76)(H,63,78)(H,64,77)(H,65,71)(H,66,74)(H,69,70)/b34-9+/t31-,33-,35+,36+,37-,38+,39+,40+,43+,44-/m1/s1 |
| SMILES | C/C=C1/NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC(=O)C[C@@H](CCCCCCCCC)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)(C)O)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CN)NC(=O)[C@H]([C@@H](C)O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Nord, Christina; Bjerketorp, Joakim; Levenfors, Jolanta J; Cao, Sha; Strömstedt, Adam A; Guss, Bengt; Larsson, Rolf; Hughes, Diarmaid; Öberg, Bo; Broberg, Anders Isopedopeptins A-H: Cationic Cyclic Lipodepsipeptides from Pedobacter cryoconitis UP508 Targeting WHO Top-Priority Carbapenem-Resistant Bacteria. ACS Chemical Biology 2020 15 (11) 2937-2944. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.0c00568 | PMID | 33054165 |
