Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002810
PROPERTIES
| NPAID | NPA002810 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin 984 |
| FORMULA | C46H62ClN9O13 |
| MOLECULAR WEIGHT (Da) | 984.5050 |
| ACCURATE MASS (Da) | 983.4156 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | cf. wesenbergii NIVA-CYA 172/5 |
| InChIKey | MIEZZLJEMSUAQB-XUOGWIEFSA-N |
| InChI | InChI=1S/C46H62ClN9O13/c1-6-23(2)38-42(64)51-30-15-19-37(61)56(44(30)66)33(21-26-10-8-7-9-11-26)45(67)55(5)32(22-27-12-16-34(58)28(47)20-27)41(63)52-31(14-18-36(49)60)46(68)69-24(3)39(43(65)53-38)54-40(62)29(50-25(4)57)13-17-35(48)59/h7-12,16,20,23-24,29-33,37-39,58,61H,6,13-15,17-19,21-22H2,1-5H3,(H2,48,59)(H2,49,60)(H,50,57)(H,51,64)(H,52,63)(H,53,65)(H,54,62)/t23?,24-,29-,30-,31-,32-,33-,37+,38+,39-/m1/s1 |
| SMILES | CCC(C)[C@H]1C(=O)N[C@@H]2CC[C@@H](N(C2=O)[C@@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@H](C(=O)N1)NC(=O)[C@@H](CCC(=O)N)NC(=O)C)C)CCC(=O)N)CC3=CC(=C(C=C3)O)Cl)C)CC4=CC=CC=C4)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tooming-Klunderud, A.; Rohrlack, T.; Shalchian-Tabrizi, K.; Kristensen, T.; Jakobsen, K. S. Structural analysis of a non-ribosomal halogenated cyclic peptide and its putative operon from Microcystis: implications for evolution of cyanopeptolins Microbiology 2007 153 (5) 1382-1393. | ||
|---|---|---|---|
| DOI | 10.1099/mic.0.2006/001123-0 | PMID | 17464052 |
