Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000691
PROPERTIES
| NPAID | NPA000691 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin D |
| FORMULA | C55H73N7O14 |
| MOLECULAR WEIGHT (Da) | 1056.2240 |
| ACCURATE MASS (Da) | 1055.5216 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa NIES-100 |
| InChIKey | UYWDIVWVEOWICI-YCNLCRJCSA-N |
| InChI | InChI=1S/C55H73N7O14/c1-6-7-8-9-13-16-44(65)56-39(26-28-46(67)68)49(69)60-48-33(4)76-55(75)47(32(2)3)59-51(71)42(30-36-19-23-38(64)24-20-36)61(5)54(74)43(31-34-14-11-10-12-15-34)62-45(66)27-25-40(53(62)73)57-50(70)41(58-52(48)72)29-35-17-21-37(63)22-18-35/h10-12,14-15,17-24,32-33,39-43,45,47-48,63-64,66H,6-9,13,16,25-31H2,1-5H3,(H,56,65)(H,57,70)(H,58,72)(H,59,71)(H,60,69)(H,67,68)/t33-,39+,40+,41+,42+,43+,45-,47+,48+/m1/s1 |
| SMILES | CCCCCCCC(=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)CC4=CC=CC=C4)C)CC5=CC=C(C=C5)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 |
