Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028629
PROPERTIES
| NPAID | NPA028629 |
|---|---|
| CLUSTER ID | 249 |
| NODE ID | 20 |
| NAME | Virginiafactin D |
| FORMULA | C56H103N9O13 |
| MOLECULAR WEIGHT (Da) | 1110.4900 |
| ACCURATE MASS (Da) | 1109.7675 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. QS1027 |
| InChIKey | IKZMQODPBFEJGI-KCFSDCCJSA-N |
| InChI | InChI=1S/C56H103N9O13/c1-14-16-17-18-19-20-21-22-38(67)30-47(69)58-40(25-32(3)4)50(71)61-41(26-33(5)6)51(72)59-39(23-24-46(57)68)49(70)60-42(27-34(7)8)53(74)64-45(31-66)54(75)65-48(37(13)15-2)55(76)62-43(28-35(9)10)52(73)63-44(56(77)78)29-36(11)12/h32-45,48,66-67H,14-31H2,1-13H3,(H2,57,68)(H,58,69)(H,59,72)(H,60,70)(H,61,71)(H,62,76)(H,63,73)(H,64,74)(H,65,75)(H,77,78)/t37-,38+,39+,40-,41-,42-,43+,44-,45+,48-/m0/s1 |
| SMILES | CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N[C@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sebastian Götze, Johannes Arp, Gerald Lackner, Shuaibing Zhang, Hajo Kries, Martin Klapper, María García-Altares, Karsten Willing, Markus Günthera, Pierre Stallforth Structure elucidation of the syringafactin lipopeptides provides insight in the evolution of nonribosomal peptide synthetases Chemical Science 2019 10 10979-10990. | ||
|---|---|---|---|
| DOI | 10.1039/c9sc03633d | PMID | - |
