Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033056
PROPERTIES
| NPAID | NPA033056 |
|---|---|
| CLUSTER ID | 9532 |
| NODE ID | 6382 |
| NAME | Bolagladin B |
| FORMULA | C40H63N5O14 |
| MOLECULAR WEIGHT (Da) | 837.9650 |
| ACCURATE MASS (Da) | 837.4372 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Burkholderia |
| ORIGIN SPECIES | gladioli BCC0238 |
| InChIKey | BPAWMVDVEWZKAP-GQZVVMBSSA-N |
| InChI | InChI=1S/C40H63N5O14/c1-4-27(2)34-37(54)43-28(20-23-46)35(52)44-29(25-47)38(55)59-26-30(36(53)45-34)42-32(49)19-22-41-31(48)18-16-14-12-10-8-6-5-7-9-11-13-15-17-21-40(58-3,39(56)57)24-33(50)51/h9,11,16,18-19,22,27-30,34,46-47H,4-8,10,12-15,17,20-21,23-26H2,1-3H3,(H,41,48)(H,42,49)(H,43,54)(H,44,52)(H,45,53)(H,50,51)(H,56,57)/b11-9-,18-16-,22-19+/t27-,28+,29+,30+,34-,40?/m1/s1 |
| SMILES | CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)/C=C/NC(=O)/C=C\CCCCCCC/C=C\CCCCC(CC(=O)O)(OC)C(=O)O)COC(=O)[C@H](CO)NC(=O)[C@H](CCO)NC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dashti, Yousef; Nakou, Ioanna T.; Mullins, Alex J.; Webster, Gordon; Jian, Xinyun; Mahenthiralingam, Eshwar; Challis, Gregory L. Discovery and Biosynthesis of Bolagladins: Unusual Lipodepsipeptides from Burkholderia gladioli Clinical Isolates**. Angewandte Chemie 2020 132 (48) 21737-21745. | ||
|---|---|---|---|
| DOI | 10.1002/ange.202009110 | PMID | - |
