Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000355
PROPERTIES
| NPAID | NPA000355 |
|---|---|
| CLUSTER ID | 287 |
| NODE ID | 260 |
| NAME | Kasumigamide |
| FORMULA | C40H50N8O9 |
| MOLECULAR WEIGHT (Da) | 786.8870 |
| ACCURATE MASS (Da) | 786.3701 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES-87 |
| InChIKey | WUXSZVRSSSITPJ-BWNORCQLSA-N |
| InChI | InChI=1S/C40H50N8O9/c41-40(42)44-18-9-16-29(37(54)48-35(39(56)57)36(53)25-12-5-2-6-13-25)46-34(52)22-31(49)30(21-26-23-45-28-15-8-7-14-27(26)28)47-33(51)17-19-43-38(55)32(50)20-24-10-3-1-4-11-24/h1-8,10-15,23,29-32,35-36,45,49-50,53H,9,16-22H2,(H,43,55)(H,46,52)(H,47,51)(H,48,54)(H,56,57)(H4,41,42,44)/t29-,30-,31-,32-,35-,36-/m1/s1 |
| SMILES | NC(N)=NCCC[C@@H](NC(=O)C[C@@H](O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)[C@H](O)CC1=CC=CC=C1)C(=O)N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ishida, Keishi; Murakami, Masahiro Kasumigamide, an antialgal peptide from the cyanobacterium Microcystis aeruginosa Journal of Organic Chemistry 2000 65 (19) 5898-5900. | ||
|---|---|---|---|
| DOI | 10.1021/jo991918f | PMID | 10987919 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1=CC=C(C=C1)C[C@H](C(=O)NCCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)[C@H](CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H]([C@@H](C4=CC=CC=C4)O)C(=O)O)O)O | Ishida, Keishi; Murakami, Masahiro Kasumigamide, an antialgal peptide from the cyanobacterium Microcystis aeruginosa Journal of Organic Chemistry 2000 65 (19) 5898-5900. DOI: 10.1021/jo991918f PMID: 10987919 | ||
| 2 | NC(N)=NCCC[C@@H](NC(=O)C[C@@H](O)[C@@H](CC1=CNC2=CC=CC=C12)NC(=O)CCNC(=O)[C@H](O)CC1=CC=CC=C1)C(=O)N[C@@H](C(=O)O)[C@H](O)C1=CC=CC=C1 | Kuranaga, Takefumi; Matsuda, Kenichi; Takaoka, Masachika; Tachikawa, Chisato; Sano, Ayae; Itoh, Kosei; Enomoto, Ayumu; Fujita, Kei; Abe, Ikuro; Wakimoto, Toshiyuki Total Synthesis and Structural Revision of Kasumigamide, and Identification of a New Analogue. ChemBioChem 2020 21 (23) 3329-3332. DOI: 10.1002/cbic.202000409 PMID: 32696567 | ||
