Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032083
PROPERTIES
| NPAID | NPA032083 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Isopedopeptin G |
| FORMULA | C55H88N12O14 |
| MOLECULAR WEIGHT (Da) | 1141.3790 |
| ACCURATE MASS (Da) | 1140.6543 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pedobacter |
| ORIGIN SPECIES | cryoconitis UP508 |
| InChIKey | NPYRLRBXKMXCLV-GXVSDTHHSA-N |
| InChI | InChI=1S/C55H88N12O14/c1-9-36-47(72)67-46(33(8)68)54(79)65-42(29-58)52(77)63-39(25-34-19-15-13-16-20-34)50(75)66-45(32(6)7)53(78)64-40(27-44(70)71)55(80)81-35(21-17-12-10-11-14-18-30(2)3)26-43(69)59-41(28-57)51(76)62-38(24-31(4)5)49(74)61-37(22-23-56)48(73)60-36/h9-11,13,15-16,19-20,30-33,35,37-42,45-46,68H,12,14,17-18,21-29,56-58H2,1-8H3,(H,59,69)(H,60,73)(H,61,74)(H,62,76)(H,63,77)(H,64,78)(H,65,79)(H,66,75)(H,67,72)(H,70,71)/b11-10?,36-9+/t33-,35-,37+,38+,39-,40+,41+,42+,45+,46+/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](CCCC=CCCC(C)C)OC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)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 |
