Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006528
PROPERTIES
| NPAID | NPA006528 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin E |
| FORMULA | C50H71N7O14 |
| MOLECULAR WEIGHT (Da) | 994.1530 |
| ACCURATE MASS (Da) | 993.5059 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES-100 |
| InChIKey | ACMHKGWLZHYQFH-YEZRCUTOSA-N |
| InChI | InChI=1S/C50H71N7O14/c1-8-9-10-11-39(60)51-34(21-23-41(62)63)44(64)55-43-29(6)71-50(70)42(28(4)5)54-46(66)37(26-31-14-18-33(59)19-15-31)56(7)49(69)38(24-27(2)3)57-40(61)22-20-35(48(57)68)52-45(65)36(53-47(43)67)25-30-12-16-32(58)17-13-30/h12-19,27-29,34-38,40,42-43,58-59,61H,8-11,20-26H2,1-7H3,(H,51,60)(H,52,65)(H,53,67)(H,54,66)(H,55,64)(H,62,63)/t29-,34+,35+,36+,37+,38+,40-,42+,43+/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@@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)CC(C)C)C)CC4=CC=C(C=C4)O)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kisugi, Takaya; Okino, Tatsufumi Micropeptins from the freshwater cyanobacterium Microcystis aeruginosa (NIES-100) Journal of Natural Products 2009 72 (4) 777-781. | ||
|---|---|---|---|
| DOI | 10.1021/np800631t | PMID | 19260658 |
