Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032837
PROPERTIES
| NPAID | NPA032837 |
|---|---|
| CLUSTER ID | 9488 |
| NODE ID | 5296 |
| NAME | Variochelin B |
| FORMULA | C49H87N11O17 |
| MOLECULAR WEIGHT (Da) | 1102.2950 |
| ACCURATE MASS (Da) | 1101.6281 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Variovorax |
| ORIGIN SPECIES | boronicumulans |
| InChIKey | KAFRRCNQGFIZFI-WKKVWVOWSA-N |
| InChI | InChI=1S/C49H87N11O17/c1-5-6-7-8-9-10-11-12-13-14-15-24-38(64)53-33(20-16-25-52-49(50)51)40(65)30(2)42(67)57-39(41(66)48(74)75)45(70)56-36(29-61)46(71)58-26-19-23-37(58)44(69)54-34(21-17-27-59(76)31(3)62)43(68)55-35(47(72)73)22-18-28-60(77)32(4)63/h30,33-37,39-41,61,65-66,76-77H,5-29H2,1-4H3,(H,53,64)(H,54,69)(H,55,68)(H,56,70)(H,57,67)(H,72,73)(H,74,75)(H4,50,51,52)/t30-,33-,34-,35-,36+,37-,39-,40-,41-/m0/s1 |
| SMILES | CCCCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)N[C@@H](CCCN(O)C(C)=O)C(=O)O)[C@H](O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kurth, Colette; Schieferdecker, Sebastian; Athanasopoulou, Kalliopi; Seccareccia, Ivana; Nett, Markus Variochelins, Lipopeptide Siderophores from Variovorax boronicumulans Discovered by Genome Mining Journal of Natural Products 2016 79 (4) 865-872. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.5b00932 | PMID | 27023373 |
