Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007679
PROPERTIES
| NPAID | NPA007679 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin KT1042 |
| FORMULA | C53H70N8O14 |
| MOLECULAR WEIGHT (Da) | 1043.1850 |
| ACCURATE MASS (Da) | 1042.5011 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | JRUSMDKOMMRBPY-RILALQOVSA-N |
| InChI | InChI=1S/C53H70N8O14/c1-7-29(4)45-52(73)60(6)39(26-31-11-9-8-10-12-31)48(69)58-43(28(2)3)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(45)51(37)72/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+/m1/s1 |
| SMILES | CC[C@@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N1C2=O)O)CC3=CC=C(C=C3)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC4=CC=C(C=C4)O)O)C)C(C)C)CC5=CC=CC=C5)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lifshits, Marina; Carmeli, Shmuel Metabolites of Microcystis aeruginosa bloom material from Lake Kinneret, Israel Journal of Natural Products 2012 75 (2) 209-219. | ||
|---|---|---|---|
| DOI | 10.1021/np200909x | PMID | 22280481 |
