Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000562
PROPERTIES
| NPAID | NPA000562 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 88-Y |
| FORMULA | C55H72N8O15 |
| MOLECULAR WEIGHT (Da) | 1085.2220 |
| ACCURATE MASS (Da) | 1084.5117 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES-88 |
| InChIKey | ROXJSZHCCCSPST-OIGTZMMPSA-N |
| InChI | InChI=1S/C55H72N8O15/c1-8-30(4)45-55(77)78-31(5)46(60-43(67)24-22-39(54(75)76)58-48(69)40(56-32(6)64)26-34-14-18-36(65)19-15-34)51(72)59-41(27-35-16-20-37(66)21-17-35)49(70)57-38-23-25-44(68)63(52(38)73)47(29(2)3)53(74)62(7)42(50(71)61-45)28-33-12-10-9-11-13-33/h9-21,29-31,38-42,44-47,65-66,68H,8,22-28H2,1-7H3,(H,56,64)(H,57,70)(H,58,69)(H,59,72)(H,60,67)(H,61,71)(H,75,76)/t30-,31+,38-,39-,40-,41-,42-,44+,45-,46-,47-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=CC=C3)C)C(C)C)O)CC4=CC=C(C=C4)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yamaki, Hiroshi; Sitachitta, Namthip; Sano, Tomoharu; Kaya, Kunimitsu Two new chymotrypsin inhibitors isolated from the cyanobacterium Microcystis aeruginosa NIES-88 Journal of Natural Products 2005 68 (1) 14-18. | ||
|---|---|---|---|
| DOI | 10.1021/np0401361 | PMID | 15679310 |
