Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024887
PROPERTIES
| NPAID | NPA024887 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Geninthiocin C |
| FORMULA | C50H51N15O15S |
| MOLECULAR WEIGHT (Da) | 1134.1150 |
| ACCURATE MASS (Da) | 1133.3410 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. CPCC 200267 |
| InChIKey | BBBBJIKNQHYHNP-AYZGPCBSSA-N |
| InChI | InChI=1S/C50H51N15O15S/c1-12-27-48-61-30(16-79-48)41(72)54-21(5)39(70)65-35(50(10,11)77)45(76)57-23(7)47-64-33(25(9)80-47)44(75)55-20(4)38(69)56-22(6)46-60-29(15-78-46)34-26(49-62-31(17-81-49)42(73)63-32(24(8)66)43(74)59-27)13-14-28(58-34)40(71)53-19(3)37(68)52-18(2)36(51)67/h12-18,24,32,35,66,77H,3-7H2,1-2,8-11H3,(H2,51,67)(H,52,68)(H,53,71)(H,54,72)(H,55,75)(H,56,69)(H,57,76)(H,59,74)(H,63,73)(H,65,70)/b27-12-/t18-,24+,32-,35+/m0/s1 |
| SMILES | C/C=C\1/C2=NC(=CO2)C(=O)NC(=C)C(=O)N[C@H](C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)N[C@@H](C)C(=O)N)C6=NC(=CS6)C(=O)N[C@H](C(=O)N1)[C@@H](C)O)C(C)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li S; Hu X; Li L; Liu H; Yu L; You X; Jiang B; Wu L Geninthiocins C and D from Streptomyces as 35-membered macrocyclic thiopeptides with modified tail moiety. Journal of Antibiotics 2019 72 (2) 106-110. | ||
|---|---|---|---|
| DOI | 10.1038/s41429-018-0127-y | PMID | 30479394 |
