Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA018147
PROPERTIES
| NPAID | NPA018147 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Sulfomycin III |
| FORMULA | C53H50N16O16S2 |
| MOLECULAR WEIGHT (Da) | 1231.2130 |
| ACCURATE MASS (Da) | 1230.3032 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | viridochromogenes |
| InChIKey | KTTCPCJHFLBGGO-VCRNNKNOSA-N |
| InChI | InChI=1S/C53H50N16O16S2/c1-11-28-49-67-35(25(8)84-49)46(80)58-22(5)41(75)59-23(6)48-63-31(16-83-48)37-27(12-13-29(60-37)42(76)57-21(4)40(74)56-20(3)39(73)55-19(2)38(54)72)52-64-33(17-86-52)44(78)66-34(24(7)71)45(79)62-30(14-15-70)50-68-36(26(9)85-50)47(81)69-51(82-10)53-65-32(18-87-53)43(77)61-28/h11-14,16-18,24,34,51,70-71H,2-6,15H2,1,7-10H3,(H2,54,72)(H,55,73)(H,56,74)(H,57,76)(H,58,80)(H,59,75)(H,61,77)(H,62,79)(H,66,78)(H,69,81)/b28-11-,30-14-/t24-,34+,51-/m1/s1 |
| SMILES | C/C=C\1/C2=NC(=C(O2)C)C(=O)NC(=C)C(=O)NC(=C)C3=NC(=CO3)C4=C(C=CC(=N4)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C5=NC(=CS5)C(=O)N[C@H](C(=O)N/C(=C\CO)/C6=NC(=C(O6)C)C(=O)N[C@@H](C7=NC(=CS7)C(=O)N1)OC)[C@@H](C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | KOHNO, JUN; KAMEDA, NORIAKI; NISHIO, MAKI; KiNUMAKI, AKIO; KOMATSUBARA, SABURO The Structures of Sulfomycins II and III Journal of Antibiotics 1996 49 (10) 1063-1065. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.1063 | PMID | 8968404 |
