Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008940
PROPERTIES
| NPAID | NPA008940 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Cyanopeptolin 1020 |
| FORMULA | C50H72N10O13 |
| MOLECULAR WEIGHT (Da) | 1021.1830 |
| ACCURATE MASS (Da) | 1020.5280 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa strain UV-006 |
| InChIKey | NYXUAFLMUQAJPS-AYGLBTBXSA-N |
| InChI | InChI=1S/C50H72N10O13/c1-6-7-9-16-38(62)54-34(22-24-40(64)65)44(67)58-42-29(4)73-49(72)41(28(2)3)57-45(68)36(26-31-17-19-32(61)20-18-31)59(5)48(71)37(27-30-13-10-8-11-14-30)60-39(63)23-21-35(47(60)70)56-43(66)33(55-46(42)69)15-12-25-53-50(51)52/h8,10-11,13-14,17-20,28-29,33-37,39,41-42,61,63H,6-7,9,12,15-16,21-27H2,1-5H3,(H,54,62)(H,55,69)(H,56,66)(H,57,68)(H,58,67)(H,64,65)(H4,51,52,53)/t29-,33+,34+,35+,36+,37+,39-,41+,42+/m1/s1 |
| SMILES | CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H]1[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N2[C@@H](CC[C@@H](C2=O)NC(=O)[C@@H](NC1=O)CCCN=C(N)N)O)CC3=CC=CC=C3)C)CC4=CC=C(C=C4)O)C(C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gademann, Karl; Portmann, Cyril; Blom, Judith F.; Zeder, Michael; Juettner, Friedrich Multiple toxin production in the cyanobacterium Microcystis: Isolation of the toxic protease inhibitor cyanopeptolin 1020 Journal of Natural Products 2010 73 (5) 980-984. | ||
|---|---|---|---|
| DOI | 10.1021/np900818c | PMID | 20405925 |
