Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019239
PROPERTIES
| NPAID | NPA019239 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin HU1069 |
| FORMULA | C41H64ClN9O18S2 |
| MOLECULAR WEIGHT (Da) | 1070.5950 |
| ACCURATE MASS (Da) | 1069.3499 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | WOAMPBVZWZVESL-BYJMUUBVSA-N |
| InChI | InChI=1S/C41H64ClN9O18S2/c1-8-20(3)31-40(59)68-22(5)32(49-36(55)29(69-71(63,64)65)19-67-70(60,61)62)37(56)46-25(11-10-16-45-41(43)44)34(53)47-26-13-15-30(52)51(38(26)57)33(21(4)9-2)39(58)50(6)27(35(54)48-31)18-23-12-14-28(66-7)24(42)17-23/h12,14,17,20-22,25-27,29-33,52H,8-11,13,15-16,18-19H2,1-7H3,(H,46,56)(H,47,53)(H,48,54)(H,49,55)(H4,43,44,45)(H,60,61,62)(H,63,64,65)/t20-,21-,22+,25-,26-,27-,29+,30+,31-,32-,33-/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)OC)Cl)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 |
