Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015116
PROPERTIES
| NPAID | NPA015116 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin HH992 |
| FORMULA | C50H72N8O13 |
| MOLECULAR WEIGHT (Da) | 993.1690 |
| ACCURATE MASS (Da) | 992.5219 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa (IL-399) |
| InChIKey | ZXKMRIUULRZARB-AELUZKBCSA-N |
| InChI | InChI=1S/C50H72N8O13/c1-26(2)21-34-48(67)57(8)37(23-30-13-11-10-12-14-30)45(64)55-41(28(5)6)50(69)71-29(7)42(47(66)54-35(22-27(3)4)49(68)58-36(44(63)53-34)19-20-40(58)70-9)56-43(62)33(25-39(51)61)52-46(65)38(60)24-31-15-17-32(59)18-16-31/h10-18,26-29,33-38,40-42,59-60H,19-25H2,1-9H3,(H2,51,61)(H,52,65)(H,53,63)(H,54,66)(H,55,64)(H,56,62)/t29-,33+,34+,35+,36+,37+,38-,40-,41+,42+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N2[C@@H](CC[C@H]2OC)C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O1)C(C)C)CC3=CC=CC=C3)C)CC(C)C)CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@@H](CC4=CC=C(C=C4)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lodin-Friedman, Anat; Carmeli, Shmuel Metabolites from Microcystis aeruginosa bloom material collected at a water reservoir near Kibbutz Hafetz Haim, Israel Journal of Natural Products 2013 76 (6) 1196-1200. | ||
|---|---|---|---|
| DOI | 10.1021/np400281q | PMID | 23718637 |
