Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004971
PROPERTIES
| NPAID | NPA004971 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin HU975 |
| FORMULA | C40H62ClN9O15S |
| MOLECULAR WEIGHT (Da) | 976.5040 |
| ACCURATE MASS (Da) | 975.3775 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | MYVJMUMDWRYBGD-PFHMNZNFSA-N |
| InChI | InChI=1S/C40H62ClN9O15S/c1-8-20(4)32-38(58)49(6)26(17-22-11-13-28(63-7)23(41)16-22)34(54)47-30(19(2)3)39(59)65-21(5)31(48-35(55)27(51)18-64-66(60,61)62)36(56)45-24(10-9-15-44-40(42)43)33(53)46-25-12-14-29(52)50(32)37(25)57/h11,13,16,19-21,24-27,29-32,51-52H,8-10,12,14-15,17-18H2,1-7H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H4,42,43,44)(H,60,61,62)/t20-,21+,24-,25-,26-,27+,29+,30-,31-,32-/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)O)C)C(C)C)CC3=CC(=C(C=C3)OC)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 |
