Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033350
PROPERTIES
| NPAID | NPA033350 |
|---|---|
| CLUSTER ID | 6391 |
| NODE ID | 4424 |
| NAME | Bacillibactin E |
| FORMULA | C38H41N7O16 |
| MOLECULAR WEIGHT (Da) | 851.7790 |
| ACCURATE MASS (Da) | 851.2610 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | sp. strain WMMC1349 |
| InChIKey | LDHAKJTXVVUFRN-QUEONAEMSA-N |
| InChI | InChI=1S/C38H41N7O16/c1-17-28(43-25(48)14-40-33(53)20-7-6-12-39-13-20)36(56)60-18(2)29(44-26(49)15-41-34(54)21-8-4-10-23(46)31(21)51)38(58)61-19(3)30(37(57)59-17)45-27(50)16-42-35(55)22-9-5-11-24(47)32(22)52/h4-13,17-19,28-30,46-47,51-52H,14-16H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,50)/t17-,18-,19-,28+,29+,30+/m1/s1 |
| SMILES | C[C@H]1OC(=O)[C@@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)[C@@H](C)OC(=O)[C@@H](NC(=O)CNC(=O)C2=C(O)C(O)=CC=C2)[C@@H](C)OC(=O)[C@H]1NC(=O)CNC(=O)C1=CN=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wu, Qihao; Throckmorton, Kurt; Maity, Mitasree; Chevrette, Marc G; Braun, Doug R; Rajski, Scott R; Currie, Cameron R; Thomas, Michael G; Bugni, Tim S Bacillibactins E and F from a Marine Sponge-Associated Bacillus sp. Journal of Natural Products 2021 84 (1) 136-141. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c01170 | PMID | 33337146 |
