Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA025827
PROPERTIES
| NPAID | NPA025827 |
|---|---|
| CLUSTER ID | 7814 |
| NODE ID | 141 |
| NAME | Scytodecamide |
| FORMULA | C47H85N11O12 |
| MOLECULAR WEIGHT (Da) | 996.2620 |
| ACCURATE MASS (Da) | 995.6379 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Scytonema |
| ORIGIN SPECIES | sp. UIC 10036 |
| InChIKey | MWUJXBWFBABTFB-ICYBEGSVSA-N |
| InChI | InChI=1S/C47H85N11O12/c1-14-27(10)37(49-13)46(69)56-34(22-60)47(70)58-17-15-16-35(58)45(68)51-29(12)39(62)52-31(19-24(4)5)42(65)53-30(18-23(2)3)41(64)50-28(11)40(63)55-33(21-59)44(67)54-32(20-25(6)7)43(66)57-36(26(8)9)38(48)61/h23-37,49,59-60H,14-22H2,1-13H3,(H2,48,61)(H,50,64)(H,51,68)(H,52,62)(H,53,65)(H,54,67)(H,55,63)(H,56,69)(H,57,66)/t27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 |
| SMILES | CC[C@H](C)[C@H](NC)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Crnkovic, Camila M; Braesel, Jana; Krunic, Aleksej; Eustáquio, Alessandra S; Orjala, Jimmy Scytodecamide from the Cultured Scytonema sp. UIC 10036 Expands the Chemical and Genetic Diversity of Cyanobactins. ChemBioChem 2020 21 (6) 845-852. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201900511 | PMID | 31769581 |
