Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033169
PROPERTIES
| NPAID | NPA033169 |
|---|---|
| CLUSTER ID | 9557 |
| NODE ID | 6398 |
| NAME | Fabrubactin B |
| FORMULA | C44H66N9O16S+ |
| MOLECULAR WEIGHT (Da) | 1009.1260 |
| ACCURATE MASS (Da) | 1008.4343 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Agrobacterium |
| ORIGIN SPECIES | fabrum strain C58 |
| InChIKey | OZJJAQYSQJUODF-UHFFFAOYSA-O |
| InChI | InChI=1S/C44H65N9O16S/c1-7-8-9-10-11-12-28(54)18-44(69,42(66)67)40(63)49-24(3)35(59)45-14-13-43(68,41(64)65)39(62)50-25(4)38-52-29(22-70-38)37(61)47-19-33(57)48-23(2)36(60)46-20-34(58)51-27-15-26-16-31(55)32(56)17-30(26)53(5,6)21-27/h16-17,22-25,27-28,54,68-69H,7-15,18-21H2,1-6H3,(H10-,45,46,47,48,49,50,51,55,56,57,58,59,60,61,62,63,64,65,66,67)/p+1 |
| SMILES | CCCCCCCC(O)CC(O)(C(=O)O)C(=O)NC(C)C(=O)NCCC(O)(C(=O)O)C(=O)NC(C)C1=NC(C(=O)NCC(=O)NC(C)C(=O)NCC(=O)NC2CC3=CC(O)=C(O)C=C3[N+](C)(C)C2)=CS1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vinnik, Vladimir; Zhang, Fan; Park, Hyunjun; Cook, Taylor B.; Throckmorton, Kurt; Pfleger, Brian F.; Bugni, Tim S.; Thomas, Michael G. Structural and Biosynthetic Analysis of the Fabrubactins, Unusual Siderophores from Agrobacterium fabrum Strain C58 ACS Chemical Biology 2021 16 (1) 125-135. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.0c00809 | PMID | 33373180 |
