Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA021228
PROPERTIES
| NPAID | NPA021228 |
|---|---|
| CLUSTER ID | 275 |
| NODE ID | 249 |
| NAME | Sulfomycin I |
| FORMULA | C54H52N16O16S2 |
| MOLECULAR WEIGHT (Da) | 1245.2400 |
| ACCURATE MASS (Da) | 1244.3189 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | viridochromogenes var. sulfomycini nov. var. MCRL-1368 |
| InChIKey | HLGFNEKJPGHMHW-JVXNPTBMSA-N |
| InChI | InChI=1S/C54H52N16O16S2/c1-12-29-50-68-36(26(9)85-50)47(81)59-23(6)42(76)60-24(7)49-64-32(16-84-49)38-28(13-14-30(61-38)43(77)58-22(5)41(75)57-21(4)40(74)56-20(3)39(55)73)53-65-34(17-87-53)45(79)67-35(25(8)72)46(80)63-31(15-19(2)71)51-69-37(27(10)86-51)48(82)70-52(83-11)54-66-33(18-88-54)44(78)62-29/h12-19,25,35,52,71-72H,3-7H2,1-2,8-11H3,(H2,55,73)(H,56,74)(H,57,75)(H,58,77)(H,59,81)(H,60,76)(H,62,78)(H,63,80)(H,67,79)(H,70,82)/b29-12-,31-15-/t19-,25-,35-,52-/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\[C@@H](C)O)/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 | Egawa Y; Umino K; Tamura Y; Shimizu M; Kaneko K Sulfomycins, a series of new sulfur-containing antibiotics. I. Isolation, purification and properties. Journal of Antibiotics 1969 22 (1) 12-17. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.22.12 | PMID | 4305864 |
