Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000597
PROPERTIES
| NPAID | NPA000597 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | 19-s-methylgeldanamycin |
| FORMULA | C30H42N2O9S |
| MOLECULAR WEIGHT (Da) | 606.7380 |
| ACCURATE MASS (Da) | 606.2611 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | XGLOPHLGVPTCBN-WUNXPXPTSA-N |
| InChI | InChI=1S/C30H42N2O9S/c1-15-12-19-24(34)22(28(42-8)25(35)27(19)40-7)32-29(36)16(2)10-9-11-20(38-5)26(41-30(31)37)18(4)14-17(3)23(33)21(13-15)39-6/h9-11,14-15,17,20-21,23,26,33H,12-13H2,1-8H3,(H2,31,37)(H,32,36)/b11-9-,16-10+,18-14+/t15-,17+,20+,21+,23-,26+/m1/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)SC)/C)OC)OC(=O)N)\C)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Liu, Xin; Li, Jingyan; Ni, Siyang; Wu, Linzhuan; Wang, Hongyuan; Lin, Ling; He, Weiqing; Wang, Yiguang A pair of sulfur-containing geldanamycin analogs, 19-S-methylgeldanamycin and 4,5-dihydro- 19-S-methylgeldanamycin, from Streptomyces hygroscopicus 17997 Journal of Antibiotics 2011 64 (7) 519-522. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2011.39 | PMID | 21559026 |
