Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019569
PROPERTIES
| NPAID | NPA019569 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin 88-N |
| FORMULA | C54H78N8O14 |
| MOLECULAR WEIGHT (Da) | 1063.2600 |
| ACCURATE MASS (Da) | 1062.5637 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES-88 |
| InChIKey | PUNPCZIPNYKTCV-KCWGXPJZSA-N |
| InChI | InChI=1S/C54H78N8O14/c1-10-15-41(64)55-38(26-29(3)4)47(67)57-37(53(73)74)22-24-42(65)59-45-32(8)76-54(75)44(31(7)11-2)60-49(69)40(28-33-16-13-12-14-17-33)61(9)52(72)46(30(5)6)62-43(66)25-23-36(51(62)71)56-48(68)39(58-50(45)70)27-34-18-20-35(63)21-19-34/h12-14,16-21,29-32,36-40,43-46,63,66H,10-11,15,22-28H2,1-9H3,(H,55,64)(H,56,68)(H,57,67)(H,58,70)(H,59,65)(H,60,69)(H,73,74)/t31-,32+,36-,37-,38-,39-,40-,43+,44-,45-,46-/m0/s1 |
| SMILES | CCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CC3=CC=C(C=C3)O)O)C(C)C)C)CC4=CC=CC=C4)[C@@H](C)CC)C)C(=O)O |
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 |
