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Compounds

COMPOUND NPA028783

STRUCTURE
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PROPERTIES
NPAID NPA028783
CLUSTER ID 415
NODE ID 374
NAME Anabaenopeptin 848
FORMULA C44H64N8O9
MOLECULAR WEIGHT (Da) 849.0430
ACCURATE MASS (Da) 848.4796
ORIGIN ORGANISM TYPE Bacterium
ORIGIN GENUS Unknown
ORIGIN SPECIES sp.
InChIKey CJKWSQVHLFUWJD-UHFFFAOYSA-N
InChI InChI=1S/C44H64N8O9/c1-7-28(4)37-42(58)51(5)34(22-21-29-16-10-8-11-17-29)41(57)52(6)35(26-36(45)53)40(56)47-32(25-30-18-12-9-13-19-30)38(54)46-23-15-14-20-31(39(55)50-37)48-44(61)49-33(43(59)60)24-27(2)3/h8-13,16-19,27-28,31-35,37H,7,14-15,20-26H2,1-6H3,(H2,45,53)(H,46,54)(H,47,56)(H,50,55)(H,59,60)(H2,48,49,61)
SMILES CCC(C)C1NC(=O)C(NC(=O)NC(CC(C)C)C(=O)O)CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(N)=O)N(C)C(=O)C(CCC2=CC=CC=C2)N(C)C1=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
ORIGINAL ISOLATION TAXONOMY
RANK NAME DB LINK NCBI
Domain Bacteria LPSN 2
Phylum Cyanobacteria LPSN 1117
Class Cyanophyceae LPSN -
Order Nostocales LPSN 1161
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