Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032079
PROPERTIES
| NPAID | NPA032079 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Isopedopeptin A |
| FORMULA | C53H86N12O15 |
| MOLECULAR WEIGHT (Da) | 1131.3400 |
| ACCURATE MASS (Da) | 1130.6336 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pedobacter |
| ORIGIN SPECIES | cryoconitis UP508 |
| InChIKey | ILWSVBGFFFIKOP-YHXNPFCWSA-N |
| InChI | InChI=1S/C53H86N12O15/c1-9-33-44(70)64-42(30(6)66)50(76)63-39(27-56)49(75)61-36(23-31-17-13-11-14-18-31)47(73)65-43(53(7,8)79)51(77)62-37(25-41(68)69)52(78)80-32(19-15-10-12-16-28(2)3)24-40(67)57-38(26-55)48(74)60-35(22-29(4)5)46(72)59-34(20-21-54)45(71)58-33/h9,11,13-14,17-18,28-30,32,34-39,42-43,66,79H,10,12,15-16,19-27,54-56H2,1-8H3,(H,57,67)(H,58,71)(H,59,72)(H,60,74)(H,61,75)(H,62,77)(H,63,76)(H,64,70)(H,65,73)(H,68,69)/b33-9+/t30-,32-,34+,35+,36-,37+,38+,39+,42+,43-/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](CCCCCC(C)C)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 |
