Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001708
PROPERTIES
| NPAID | NPA001708 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Kawaguchipeptin B |
| FORMULA | C58H76N16O18 |
| MOLECULAR WEIGHT (Da) | 1285.3400 |
| ACCURATE MASS (Da) | 1284.5523 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa (NIES-88) |
| InChIKey | AFDPMSAJJZIIQX-GARKVBDDSA-N |
| InChI | InChI=1S/C58H76N16O18/c1-26(2)15-34-50(84)68-37(18-43(59)77)49(83)64-24-46(80)65-40(21-47(81)82)55(89)70-39(20-45(61)79)54(88)69-38(19-44(60)78)53(87)67-35(16-28-22-62-32-11-6-4-9-30(28)32)52(86)72-41(25-75)56(90)73-48(27(3)76)58(92)74-14-8-13-42(74)57(91)71-36(51(85)66-34)17-29-23-63-33-12-7-5-10-31(29)33/h4-7,9-12,22-23,26-27,34-42,48,62-63,75-76H,8,13-21,24-25H2,1-3H3,(H2,59,77)(H2,60,78)(H2,61,79)(H,64,83)(H,65,80)(H,66,85)(H,67,87)(H,68,84)(H,69,88)(H,70,89)(H,71,91)(H,72,86)(H,73,90)(H,81,82)/t27-,34-,35-,36-,37-,38-,39-,40-,41-,42+,48-/m0/s1 |
| SMILES | C[C@@H]([C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC3=CNC4=CC=CC=C43)CC(=O)N)CC(=O)N)CC(=O)O)CC(=O)N)CC(C)C)CC5=CNC6=CC=CC=C65)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishida; Matsuda; Murakami; Yamaguchi Kawaguchipeptin B, an antibacterial cyclic undecapeptide from the cyanobacterium Microcystis aeruginosa Journal of Natural Products 1997 60 (7) 724-726. | ||
|---|---|---|---|
| DOI | 10.1021/np970146k | PMID | 9249979 |
