Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA027436
PROPERTIES
| NPAID | NPA027436 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Micropeptin KB1046 |
| FORMULA | C53H74N8O14 |
| MOLECULAR WEIGHT (Da) | 1047.2170 |
| ACCURATE MASS (Da) | 1046.5324 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | sp. |
| InChIKey | BWJMWVYLIXGGQH-AIALULLUSA-N |
| InChI | InChI=1S/C53H74N8O14/c1-7-29(4)43-53(74)75-30(5)44(59-46(67)36(21-23-41(54)65)55-49(70)40(64)27-33-15-19-35(63)20-16-33)50(71)57-38(25-32-13-17-34(62)18-14-32)47(68)56-37-22-24-42(66)61(51(37)72)45(28(2)3)52(73)60(6)39(48(69)58-43)26-31-11-9-8-10-12-31/h8-13,15-17,19-20,28-30,32,34,36-40,42-45,62-64,66H,7,14,18,21-27H2,1-6H3,(H2,54,65)(H,55,70)(H,56,68)(H,57,71)(H,58,69)(H,59,67)/t29-,30-,32?,34?,36+,37-,38-,39-,40?,42+,43-,44-,45-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)N(C)C(=O)[C@H](C(C)C)N2C(=O)[C@H](CC[C@H]2O)NC(=O)[C@H](CC2C=CC(O)CC2)NC(=O)[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)C(O)CC2=CC=C(O)C=C2)[C@H](C)OC1=O |
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 |
