Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027445
PROPERTIES
| NPAID | NPA027445 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin KB956 |
| FORMULA | C46H72N10O12 |
| MOLECULAR WEIGHT (Da) | 957.1400 |
| ACCURATE MASS (Da) | 956.5331 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | ARGQMCNKKANSBS-BQKCPCLZSA-N |
| InChI | InChI=1S/C46H72N10O12/c1-10-16-33(57)50-31(24-35(58)67-9)40(60)54-37-27(6)68-45(65)36(26(5)11-2)53-41(61)32(23-28-17-13-12-14-18-28)55(7)44(64)38(25(3)4)56-34(66-8)21-20-30(43(56)63)52-39(59)29(51-42(37)62)19-15-22-49-46(47)48/h12-14,17-18,25-27,29-32,34,36-38H,10-11,15-16,19-24H2,1-9H3,(H,50,57)(H,51,62)(H,52,59)(H,53,61)(H,54,60)(H4,47,48,49)/t26-,27-,29-,30-,31+,32-,34+,36-,37-,38-/m0/s1 |
| SMILES | CCCC(=O)N[C@H](CC(=O)OC)C(=O)N[C@@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]2CC[C@@H](OC)N(C2=O)[C@@H](C(C)C)C(=O)N(C)[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O[C@H]1C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Elkobi-Peer S; Carmeli S New prenylated aeruginosin, microphycin, anabaenopeptin and micropeptin analogues from a Microcystis bloom material collected in Kibbutz Kfar Blum, Israel. Marine Drugs 2015 13 (4) 2347-2375. | ||
|---|---|---|---|
| DOI | 10.3390/md13042347 | PMID | 25884445 |
