Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028372
PROPERTIES
| NPAID | NPA028372 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Acetyl-qinichelin |
| FORMULA | C33H51N9O15 |
| MOLECULAR WEIGHT (Da) | 813.8190 |
| ACCURATE MASS (Da) | 813.3505 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. MBT77 |
| InChIKey | MRKAXCKZNNHNNP-NOGMDXJMSA-N |
| InChI | InChI=1S/C33H51N9O15/c1-17(46)35-19(28(50)37-21-9-5-13-41(56)32(21)54)8-4-12-42(57)33(55)24(16-45)40-31(53)23(15-44)39-29(51)20(7-3-11-34)36-30(52)22(14-43)38-27(49)18-6-2-10-25(47)26(18)48/h2,6,10,19-24,43-45,47-48,56-57H,3-5,7-9,11-16,34H2,1H3,(H,35,46)(H,36,52)(H,37,50)(H,38,49)(H,39,51)(H,40,53)/t19-,20-,21-,22+,23+,24-/m0/s1 |
| SMILES | CC(=O)N[C@@H](CCCN(O)C(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](CCCN)NC(=O)[C@@H](CO)NC(=O)C1=C(O)C(O)=CC=C1)C(=O)N[C@H]1CCCN(O)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gubbens J; Wu C; Zhu H; Filippov DV; Florea BI; Rigali S; Overkleeft HS; van Wezel GP Intertwined Precursor Supply during Biosynthesis of the Catecholate-Hydroxamate Siderophores Qinichelins in Streptomyces sp. MBT76. ACS Chemical Biology 2017 12 (11) 2756-2766. | ||
|---|---|---|---|
| DOI | 10.1021/acschembio.7b00597 | PMID | 28945067 |
