Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014901
PROPERTIES
| NPAID | NPA014901 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Methylsulfomycin I |
| FORMULA | C55H54N16O16S2 |
| MOLECULAR WEIGHT (Da) | 1259.2670 |
| ACCURATE MASS (Da) | 1258.3345 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. HIL Y-9420704 |
| InChIKey | AGPXPIZWMMLJPG-CBZXLTCLSA-N |
| InChI | InChI=1S/C55H54N16O16S2/c1-13-30-51-69-37(27(10)86-51)48(82)60-23(6)43(77)61-24(7)50-68-36(26(9)85-50)39-29(14-15-31(62-39)44(78)59-22(5)42(76)58-21(4)41(75)57-20(3)40(56)74)54-65-34(17-88-54)46(80)67-35(25(8)73)47(81)64-32(16-19(2)72)52-70-38(28(11)87-52)49(83)71-53(84-12)55-66-33(18-89-55)45(79)63-30/h13-19,25,35,53,72-73H,3-7H2,1-2,8-12H3,(H2,56,74)(H,57,75)(H,58,76)(H,59,78)(H,60,82)(H,61,77)(H,63,79)(H,64,81)(H,67,80)(H,71,83)/b30-13-,32-16- |
| SMILES | C/C=C\1/C2=NC(=C(O2)C)C(=O)NC(=C)C(=O)NC(=C)C3=NC(=C(O3)C)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)NC(C(=O)N/C(=C\C(C)O)/C6=NC(=C(O6)C)C(=O)NC(C7=NC(=CS7)C(=O)N1)OC)C(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Vijaya Kumar; Kenia; Mukhopadhyay, Triptikumar; Nadkarni Methylsulfomycin I, a new cyclic peptide antibiotic from a streptomyces sp. HIL Y-9420704 Journal of Natural Products 1999 62 (11) 1562-1564. | ||
|---|---|---|---|
| DOI | 10.1021/np990088y | PMID | 10579874 |
