Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028777
PROPERTIES
| NPAID | NPA028777 |
|---|---|
| CLUSTER ID | 415 |
| NODE ID | 374 |
| NAME | Anabaenopeptin 871 |
| FORMULA | C46H61N7O10 |
| MOLECULAR WEIGHT (Da) | 872.0330 |
| ACCURATE MASS (Da) | 871.4480 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown |
| ORIGIN SPECIES | sp. |
| InChIKey | PQROCLKHWNWBTI-UHFFFAOYSA-N |
| InChI | InChI=1S/C46H61N7O10/c1-5-28(2)39-43(59)49-37(25-19-31-16-22-34(55)23-17-31)44(60)53(4)29(3)40(56)48-36(24-18-30-14-20-33(54)21-15-30)41(57)47-26-10-9-13-35(42(58)52-39)50-46(63)51-38(45(61)62)27-32-11-7-6-8-12-32/h6-8,11-12,14-17,20-23,28-29,35-39,54-55H,5,9-10,13,18-19,24-27H2,1-4H3,(H,47,57)(H,48,56)(H,49,59)(H,52,58)(H,61,62)(H2,50,51,63) |
| SMILES | CCC(C)C1NC(=O)C(NC(=O)NC(CC2=CC=CC=C2)C(=O)O)CCCCNC(=O)C(CCC2=CC=C(O)C=C2)NC(=O)C(C)N(C)C(=O)C(CCC2=CC=C(O)C=C2)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sanz M; Andreote AP; Fiore MF; Dörr FA; Pinto E Structural Characterization of New Peptide Variants Produced by Cyanobacteria from the Brazilian Atlantic Coastal Forest Using Liquid Chromatography Coupled to Quadrupole Time-of-Flight Tandem Mass Spectrometry. Marine Drugs 2015 13 (6) 3892-3919. | ||
|---|---|---|---|
| DOI | 10.3390/md13063892 | PMID | 26096276 |
