Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008519
PROPERTIES
| NPAID | NPA008519 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin EI992 |
| FORMULA | C48H68N10O13 |
| MOLECULAR WEIGHT (Da) | 993.1290 |
| ACCURATE MASS (Da) | 992.4967 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | YISRXUQQIVQAHS-QYVAUQPQSA-N |
| InChI | InChI=1S/C48H68N10O13/c1-6-12-36(60)52-33(25-38(62)63)42(65)56-40-27(4)71-47(70)39(26(3)7-2)55-43(66)34(23-29-16-18-30(59)19-17-29)57(5)46(69)35(24-28-13-9-8-10-14-28)58-37(61)21-20-32(45(58)68)54-41(64)31(53-44(40)67)15-11-22-51-48(49)50/h8-10,13-14,16-19,26-27,31-35,37,39-40,59,61H,6-7,11-12,15,20-25H2,1-5H3,(H,52,60)(H,53,67)(H,54,64)(H,55,66)(H,56,65)(H,62,63)(H4,49,50,51)/t26-,27+,31-,32-,33-,34-,35-,37+,39-,40-/m0/s1 |
| SMILES | CCCC(=O)N[C@@H](CC(=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)CCCN=C(N)N)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)[C@@H](C)CC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ploutno, Alexei; Shoshan, Maria; Carmeli, Shmuel Three novel protease inhibitors from a natural bloom of the cyanobacterium Microcystis aeruginosa Journal of Natural Products 2002 65 (7) 973-978. | ||
|---|---|---|---|
| DOI | 10.1021/np010597b | PMID | 12141855 |
