Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019800
PROPERTIES
| NPAID | NPA019800 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin HU1041 |
| FORMULA | C39H60ClN9O18S2 |
| MOLECULAR WEIGHT (Da) | 1042.5410 |
| ACCURATE MASS (Da) | 1041.3186 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | CDNBDTGIQPIOQU-JJSZTCTISA-N |
| InChI | InChI=1S/C39H60ClN9O18S2/c1-7-19(4)31-37(57)48(6)25(16-21-10-12-26(50)22(40)15-21)33(53)46-29(18(2)3)38(58)66-20(5)30(47-34(54)27(67-69(62,63)64)17-65-68(59,60)61)35(55)44-23(9-8-14-43-39(41)42)32(52)45-24-11-13-28(51)49(31)36(24)56/h10,12,15,18-20,23-25,27-31,50-51H,7-9,11,13-14,16-17H2,1-6H3,(H,44,55)(H,45,52)(H,46,53)(H,47,54)(H4,41,42,43)(H,59,60,61)(H,62,63,64)/t19-,20+,23-,24-,25-,27+,28+,29-,30-,31-/m0/s1 |
| SMILES | CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]2CC[C@H](N1C2=O)O)CCCN=C(N)N)NC(=O)[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)C)C(C)C)CC3=CC(=C(C=C3)O)Cl)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 |
