Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032979
PROPERTIES
| NPAID | NPA032979 |
|---|---|
| CLUSTER ID | 9516 |
| NODE ID | 6370 |
| NAME | Streptosactin |
| FORMULA | C47H72N20O19S2 |
| MOLECULAR WEIGHT (Da) | 1285.3480 |
| ACCURATE MASS (Da) | 1284.4724 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptococcus |
| ORIGIN SPECIES | thermophilus |
| InChIKey | XCCBWDZIVGIZHM-MLJYCRHWSA-N |
| InChI | InChI=1S/C47H72N20O19S2/c1-20(58-35(76)22(48)9-30(49)71)34(75)60-25(14-68)39(80)63-28-17-88-47(18-70,66-41(82)29-5-3-7-67(29)33(74)13-56-37(28)78)45(86)64-24(8-21-10-52-19-57-21)38(79)61-26(15-69)40(81)62-27-16-87-43(65-32(73)12-54-31(72)11-55-36(27)77)42(83)59-23(44(84)85)4-2-6-53-46(50)51/h10,19-20,22-29,43,68-70H,2-9,11-18,48H2,1H3,(H2,49,71)(H,52,57)(H,54,72)(H,55,77)(H,56,78)(H,58,76)(H,59,83)(H,60,75)(H,61,79)(H,62,81)(H,63,80)(H,64,86)(H,65,73)(H,66,82)(H,84,85)(H4,50,51,53)/t20-,22-,23-,24-,25-,26-,27?,28-,29-,43?,47?/m0/s1 |
| SMILES | C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@H]1CSC(CO)(C(=O)N[C@@H](CC2=CN=C[NH]2)C(=O)N[C@@H](CO)C(=O)NC2CSC(C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)CNC2=O)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Bushin, Leah B; Covington, Brett C; Rued, Britta E; Federle, Michael J; Seyedsayamdost, Mohammad R Discovery and Biosynthesis of Streptosactin, a Sactipeptide with an Alternative Topology Encoded by Commensal Bacteria in the Human Microbiome. Journal of the American Chemical Society 2020 142 (38) 16265-16275. | ||
|---|---|---|---|
| DOI | 10.1021/jacs.0c05546 | PMID | 32845143 |
