Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032078
PROPERTIES
| NPAID | NPA032078 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Isopedopeptin F |
| FORMULA | C55H90N12O15 |
| MOLECULAR WEIGHT (Da) | 1159.3940 |
| ACCURATE MASS (Da) | 1158.6649 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pedobacter |
| ORIGIN SPECIES | cryoconitis UP508 |
| InChIKey | ZDPKWOZUQQVUGA-YOTSCNHRSA-N |
| InChI | InChI=1S/C55H90N12O15/c1-9-35-46(72)66-44(32(6)68)52(78)65-41(29-58)51(77)63-38(25-33-19-15-13-16-20-33)49(75)67-45(55(7,8)81)53(79)64-39(27-43(70)71)54(80)82-34(21-17-12-10-11-14-18-30(2)3)26-42(69)59-40(28-57)50(76)62-37(24-31(4)5)48(74)61-36(22-23-56)47(73)60-35/h9,13,15-16,19-20,30-32,34,36-41,44-45,68,81H,10-12,14,17-18,21-29,56-58H2,1-8H3,(H,59,69)(H,60,73)(H,61,74)(H,62,76)(H,63,77)(H,64,79)(H,65,78)(H,66,72)(H,67,75)(H,70,71)/b35-9+/t32-,34-,36+,37+,38-,39+,40+,41+,44+,45-/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](CCCCCCCC(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 |
