Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005720231 | Gold | 3 |
| CCMSLIB00005723406 | Gold | 3 |
| CCMSLIB00005723407 | Gold | 3 |
| CCMSLIB00005723408 | Gold | 3 |
| CCMSLIB00006710020 | Gold | 3 |
COMPOUND NPA036413
PROPERTIES
| NPAID | NPA036413 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Molassamide B |
| FORMULA | C48H65BrN8O13 |
| MOLECULAR WEIGHT (Da) | 1041.9950 |
| ACCURATE MASS (Da) | 1040.3854 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rivularia |
| ORIGIN SPECIES | sp. PCC 7116 |
| InChIKey | RHDUBBRUOVMSBW-QSPFLSMASA-N |
| InChI | InChI=1S/C48H65BrN8O13/c1-9-14-36(60)50-25(5)41(62)54-39(26(6)58)44(65)55-40-27(7)70-48(69)38(24(3)4)53-43(64)33(23-29-17-19-35(59)30(49)21-29)56(8)47(68)34(22-28-15-12-11-13-16-28)57-37(61)20-18-32(46(57)67)52-42(63)31(10-2)51-45(40)66/h10-13,15-17,19,21,24-27,32-34,37-40,58-59,61H,9,14,18,20,22-23H2,1-8H3,(H,50,60)(H,51,66)(H,52,63)(H,53,64)(H,54,62)(H,55,65)/b31-10-/t25-,26+,27+,32-,33-,34-,37+,38-,39-,40-/m0/s1 |
| SMILES | C/C=C1\NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)CCC)[C@@H](C)O)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC(Br)=C(O)C=C2)N(C)C(=O)[C@H](CC2=CC=CC=C2)N2C(=O)[C@H](CC[C@H]2O)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Reher, Raphael; Aron, Allegra T; Fajtová, Pavla; Stincone, Paolo; Wagner, Berenike; Pérez-Lorente, Alicia I; Liu, Chenxi; Shalom, Ido Y Ben; Bittremieux, Wout; Wang, Mingxun; Jeong, Kyowon; Matos-Hernandez, Marie L; Alexander, Kelsey L; Caro-Diaz, Eduardo J; Naman, C Benjamin; Scanlan, J H William; Hochban, Phil M M; Diederich, Wibke E; Molina-Santiago, Carlos; Romero, Diego; Selim, Khaled A; Sass, Peter; Brötz-Oesterhelt, Heike; Hughes, Chambers C; Dorrestein, Pieter C; O'Donoghue, Anthony J; Gerwick, William H; Petras, Daniel Native metabolomics identifies the rivulariapeptolide family of protease inhibitors. Nature Communications 2022 13 (1) 4619. | ||
|---|---|---|---|
| DOI | 10.1038/s41467-022-32016-6 | PMID | 35941113 |
