Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002749
PROPERTIES
| NPAID | NPA002749 |
|---|---|
| CLUSTER ID | 100 |
| NODE ID | 95 |
| NAME | Thiazinotrienomycin E |
| FORMULA | C38H51N3O8S |
| MOLECULAR WEIGHT (Da) | 709.9060 |
| ACCURATE MASS (Da) | 709.3397 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. MJ672-m3 |
| InChIKey | FZQITFWYBUDNRH-BCGPCUKQSA-N |
| InChI | InChI=1S/C38H51N3O8S/c1-23-14-13-18-28-35(45)29(21-30-36(28)50-22-33(43)41-30)40-32(42)20-27(48-4)17-11-6-5-7-12-19-31(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14,17,21,24-27,31,34,44-45H,8-10,13,15-16,18-20,22H2,1-4H3,(H,39,46)(H,40,42)(H,41,43)/b6-5+,12-7+,17-11?,23-14- |
| SMILES | CC1C(C/C=C/C=C/C=CC(CC(=O)NC2=CC3=C(C(=C2O)CC/C=C(\C1O)/C)SCC(=O)N3)OC)OC(=O)C(C)NC(=O)C4CCCCC4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hosokawa; Naganawa; Iinuma; Hamada; Takeuchi; Kanbe; Hori Thiazinotrienomycins, new ansamycin group antibiotics Journal of Antibiotics 1995 48 (6) 471-478. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.48.471 | PMID | 7622432 |
SYNTHESES
| CITATION 1 | Smith AB; Wan Z Total synthesis of the ansamycin antibiotic (+)-thiazinotrienomycin E. Journal of Organic Chemistry 2000 65 (12) 3738-3753. DOI: 10.1021/jo991958j PMID: 10864759 | ||
|---|---|---|---|
| CITATION 2 | Smith AB; Wan Z Total synthesis of (+)-thiazinotrienomycin E. Organic Letters 1999 1 (9) 1491-1494. DOI: 10.1021/ol991049g PMID: 10825997 | ||
