Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028628
PROPERTIES
| NPAID | NPA028628 |
|---|---|
| CLUSTER ID | 248 |
| NODE ID | 11 |
| NAME | Virginiafactin C |
| FORMULA | C55H101N9O13 |
| MOLECULAR WEIGHT (Da) | 1096.4630 |
| ACCURATE MASS (Da) | 1095.7519 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | sp. QS1027 |
| InChIKey | YZNPCOAYYRGZLU-WHWTZJJYSA-N |
| InChI | InChI=1S/C55H101N9O13/c1-14-15-16-17-18-19-20-21-37(66)29-46(68)57-39(24-31(2)3)49(70)60-40(25-32(4)5)50(71)58-38(22-23-45(56)67)48(69)59-41(26-33(6)7)52(73)63-44(30-65)53(74)64-47(36(12)13)54(75)61-42(27-34(8)9)51(72)62-43(55(76)77)28-35(10)11/h31-44,47,65-66H,14-30H2,1-13H3,(H2,56,67)(H,57,68)(H,58,71)(H,59,69)(H,60,70)(H,61,75)(H,62,72)(H,63,73)(H,64,74)(H,76,77)/t37-,38-,39+,40+,41+,42-,43+,44-,47+/m1/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(C)C |
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 | - |
