Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011949
PROPERTIES
| NPAID | NPA011949 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Ichthyopeptin A |
| FORMULA | C53H70N8O14 |
| MOLECULAR WEIGHT (Da) | 1043.1850 |
| ACCURATE MASS (Da) | 1042.5011 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | ichthyoblabe |
| InChIKey | HUXQLCBYRTWEFS-FEJKOTDMSA-N |
| InChI | InChI=1S/C53H70N8O14/c1-7-29(4)43-53(74)75-30(5)44(59-46(67)36(21-23-41(54)65)55-49(70)40(64)27-33-15-19-35(63)20-16-33)50(71)57-38(25-32-13-17-34(62)18-14-32)47(68)56-37-22-24-42(66)61(51(37)72)45(28(2)3)52(73)60(6)39(48(69)58-43)26-31-11-9-8-10-12-31/h8-20,28-30,36-40,42-45,62-64,66H,7,21-27H2,1-6H3,(H2,54,65)(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,67)/t29-,30+,36-,37-,38-,39?,40?,42+,43-,44-,45-/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(C(=O)N1)CC3=CC=CC=C3)C)C(C)C)O)CC4=CC=C(C=C4)O)NC(=O)[C@H](CCC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zainuddin, Elmi N.; Mentel, Renate; Wray, Victor; Jansen, Rolf; Nimtz, Manfred; Lalk, Michael; Mundt, Sabine Cyclic depsipeptides, ichthyopeptins A and B, from Microcystis ichthyoblabe Journal of Natural Products 2007 70 (7) 1084-1088. | ||
|---|---|---|---|
| DOI | 10.1021/np060303s | PMID | 17602586 |
