Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028818
PROPERTIES
| NPAID | NPA028818 |
|---|---|
| CLUSTER ID | 353 |
| NODE ID | 318 |
| NAME | Microginin 527 methyl ester |
| FORMULA | C26H43N3O7S |
| MOLECULAR WEIGHT (Da) | 541.7110 |
| ACCURATE MASS (Da) | 541.2822 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Microcystis |
| ORIGIN SPECIES | aeruginosa UTEX LB2385 |
| InChIKey | LMUKNGXVZWJANM-DHWRZQMWSA-N |
| InChI | InChI=1S/C26H43N3O7S/c1-5-6-7-8-9-10-20(27)23(31)25(33)29(2)22(15-16-37(4)35)24(32)28-21(26(34)36-3)17-18-11-13-19(30)14-12-18/h11-14,20-23,30-31H,5-10,15-17,27H2,1-4H3,(H,28,32)/t20-,21-,22-,23-,37?/m0/s1 |
| SMILES | CCCCCCC[C@H](N)[C@H](O)C(=O)N(C)[C@@H](CCS(C)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stewart AK; Ravindra R; Van Wagoner RM; Wright JLC Metabolomics-Guided Discovery of Microginin Peptides from Cultures of the Cyanobacterium Microcystis aeruginosa. Journal of Natural Products 2018 81 (2) 349-355. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.7b00829 | PMID | 29405714 |
