Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033168
PROPERTIES
| NPAID | NPA033168 |
|---|---|
| CLUSTER ID | 9557 |
| NODE ID | 6398 |
| NAME | Fabrubactin A |
| 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 | SXOKUPQNHVTMPJ-UHFFFAOYSA-O |
| InChI | InChI=1S/C44H65N9O16S/c1-6-7-8-9-10-11-28(54)19-44(69,42(66)67)39(62)46-14-12-33(57)45-15-13-43(68,41(64)65)40(63)50-25(3)38-52-29(23-70-38)37(61)48-20-34(58)49-24(2)36(60)47-21-35(59)51-27-16-26-17-31(55)32(56)18-30(26)53(4,5)22-27/h17-18,23-25,27-28,54,68-69H,6-16,19-22H2,1-5H3,(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)NCCC(=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 |
