Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021727
PROPERTIES
| NPAID | NPA021727 |
|---|---|
| CLUSTER ID | 6731 |
| NODE ID | 4664 |
| NAME | Agrocin 108 |
| FORMULA | C20H29N4O16P |
| MOLECULAR WEIGHT (Da) | 612.4380 |
| ACCURATE MASS (Da) | 612.1316 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rhizobium |
| ORIGIN SPECIES | rhizogenes strain K108 |
| InChIKey | YUMCOBIDABFYCR-HHLCLMOPSA-N |
| InChI | InChI=1S/C20H29N4O16P/c21-8-1-2-24(19(33)23-8)17-12(30)13(39-18-10(28)9(27)6(26)3-36-18)7(38-17)4-37-41(34,35)40-14-11(29)15(31)20(22,5-25)16(14)32/h1-2,6-7,9-10,12-13,15,17-18,25-28,30-32H,3-5,22H2,(H,34,35)(H2,21,23,33)/t6-,7-,9?,10-,12-,13-,15+,17-,18?,20-/m1/s1 |
| SMILES | C1[C@H](C([C@H](C(O1)O[C@@H]2[C@H](O[C@H]([C@@H]2O)N3C=CC(=NC3=O)N)COP(=O)(O)OC4=C([C@]([C@H](C4=O)O)(CO)N)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Elvin, Christopher M.; Asenstorfer, Robert E.; Ryder, Maarten H.; Donner, Scott C.; Jones, Graham P.; Tate, Max E. Agrocin 108 is a 5'-cytidine nucleotide bacteriocin containing a carbocyclic phosphoryl-ascorbate group Journal of Antibiotics 2018 71 (4) 438-446. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-017-0014-y | PMID | 29348528 |
