Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019398
PROPERTIES
| NPAID | NPA019398 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin B |
| FORMULA | C47H74N8O13 |
| MOLECULAR WEIGHT (Da) | 959.1520 |
| ACCURATE MASS (Da) | 958.5375 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | JKIBLHXBEWIREM-WKMXGWCCSA-N |
| InChI | InChI=1S/C47H74N8O13/c1-8-9-10-14-36(57)49-32(20-22-38(59)60)42(62)53-40-28(6)68-47(67)39(27(4)5)52-43(63)34(25-29-15-17-30(56)18-16-29)54(7)46(66)35(24-26(2)3)55-37(58)21-19-33(45(55)65)51-41(61)31(50-44(40)64)13-11-12-23-48/h15-18,26-28,31-35,37,39-40,56,58H,8-14,19-25,48H2,1-7H3,(H,49,57)(H,50,64)(H,51,61)(H,52,63)(H,53,62)(H,59,60)/t28-,31+,32+,33?,34?,35+,37?,39+,40+/m1/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)C(N(C(=O)[C@@H](N2C(CCC(C2=O)NC(=O)[C@@H](NC1=O)CCCCN)O)CC(C)C)C)CC3=CC=C(C=C3)O)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Okino, Tatsufumi; Murakami, Masahiro; Haraguchi, Ryo; Munekata, Hideaki; Matsuda, Hisashi; Yamaguchi, Katsumi Micropeptins A and B, Plasmin and Trypsin Inhibitors from the Blue-Green Alga Microcystis aeruginosa Tetrahedron Letters 1993 34 (50) 8131-8134. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(00)61471-5 | PMID | - |
