Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032081
PROPERTIES
| NPAID | NPA032081 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Isopedopeptin D |
| FORMULA | C52H84N12O14 |
| MOLECULAR WEIGHT (Da) | 1101.3140 |
| ACCURATE MASS (Da) | 1100.6230 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pedobacter |
| ORIGIN SPECIES | cryoconitis UP508 |
| InChIKey | ZGJAZYZMEFLCNY-WRMFQEGISA-N |
| InChI | InChI=1S/C52H84N12O14/c1-8-10-11-12-16-19-32-24-40(66)56-38(26-54)48(73)59-35(22-28(3)4)46(71)58-34(20-21-53)45(70)57-33(9-2)44(69)64-43(30(7)65)51(76)62-39(27-55)49(74)60-36(23-31-17-14-13-15-18-31)47(72)63-42(29(5)6)50(75)61-37(25-41(67)68)52(77)78-32/h9,13-15,17-18,28-30,32,34-39,42-43,65H,8,10-12,16,19-27,53-55H2,1-7H3,(H,56,66)(H,57,70)(H,58,71)(H,59,73)(H,60,74)(H,61,75)(H,62,76)(H,63,72)(H,64,69)(H,67,68)/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](CCCCCCC)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 |
