Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015454
PROPERTIES
| NPAID | NPA015454 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin HU1021 |
| FORMULA | C40H63N9O18S2 |
| MOLECULAR WEIGHT (Da) | 1022.1230 |
| ACCURATE MASS (Da) | 1021.3732 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | QONBAISRUZCJFF-KMHGOLGOSA-N |
| InChI | InChI=1S/C40H63N9O18S2/c1-7-20(3)30-39(58)66-22(5)31(47-35(54)28(67-69(62,63)64)19-65-68(59,60)61)36(55)44-25(10-9-17-43-40(41)42)33(52)45-26-15-16-29(51)49(37(26)56)32(21(4)8-2)38(57)48(6)27(34(53)46-30)18-23-11-13-24(50)14-12-23/h11-14,20-22,25-32,50-51H,7-10,15-19H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)(H,62,63,64)/t20-,21-,22+,25-,26-,27-,28+,29+,30-,31-,32-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N(C2=O)[C@H](C(=O)N([C@H](C(=O)N1)CC3=CC=C(C=C3)O)C)[C@@H](C)CC)O)CCCN=C(N)N)NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gesner-Apter, Shiri; Carmeli, Shmuel Protease inhibitors from a water bloom of the cyanobacterium Microcystis aeruginosa Journal of Natural Products 2009 72 (8) 1429-1436. | ||
|---|---|---|---|
| DOI | 10.1021/np900340t | PMID | 19650639 |
