Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010214
PROPERTIES
| NPAID | NPA010214 |
|---|---|
| CLUSTER ID | 4125 |
| NODE ID | 3063 |
| NAME | Cupriachelin |
| FORMULA | C33H57N7O16 |
| MOLECULAR WEIGHT (Da) | 807.8520 |
| ACCURATE MASS (Da) | 807.3862 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Cupriavidus |
| ORIGIN SPECIES | necator H16 |
| InChIKey | NKYSSGMAMSGPMC-UBFCWUJISA-N |
| InChI | InChI=1S/C33H57N7O16/c1-3-4-5-6-7-8-9-12-21(42)38-25(27(46)33(54)55)30(49)37-19(13-14-34)28(47)39-24(26(45)32(52)53)29(48)35-17-22(43)36-20(31(50)51)11-10-15-40(56)23(44)16-18(2)41/h18-20,24-27,41,45-46,56H,3-17,34H2,1-2H3,(H,35,48)(H,36,43)(H,37,49)(H,38,42)(H,39,47)(H,50,51)(H,52,53)(H,54,55)/t18-,19-,20-,24-,25-,26-,27-/m0/s1 |
| SMILES | CCCCCCCCCC(=O)N[C@@H]([C@@H](C(=O)O)O)C(=O)N[C@@H](CCN)C(=O)N[C@@H]([C@@H](C(=O)O)O)C(=O)NCC(=O)N[C@@H](CCCN(C(=O)C[C@H](C)O)O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kreutzer, Martin F.; Kage, Hirokazu; Nett, Markus Structure and biosynthetic assembly of cupriachelin, a photoreactive siderophore from the bioplastic producer cupriavidus necator H16 Journal of the American Chemical Society 2012 134 (11) 5415-5422. | ||
|---|---|---|---|
| DOI | 10.1021/ja300620z | PMID | 22381697 |
