Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014922
PROPERTIES
| NPAID | NPA014922 |
|---|---|
| CLUSTER ID | 239 |
| NODE ID | 219 |
| NAME | (2S,3S,4R)-10-de-O-carbamoyl-12-O-carbamoyl-Nβ-acetylstreptothricin D acid |
| FORMULA | C33H62N12O12 |
| MOLECULAR WEIGHT (Da) | 818.9310 |
| ACCURATE MASS (Da) | 818.4610 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. I08A 1776 |
| InChIKey | IRQLHLODRZDTDD-KJHZUQIMSA-N |
| InChI | InChI=1S/C33H62N12O12/c1-16(46)41-19(7-4-10-40-23(49)12-18(37)6-3-9-39-22(48)11-17(36)5-2-8-34)13-24(50)42-27-29(52)28(51)21(15-56-32(38)55)57-30(27)45-33-43-25(20(47)14-35)26(44-33)31(53)54/h17-21,25-30,47,51-52H,2-15,34-37H2,1H3,(H2,38,55)(H,39,48)(H,40,49)(H,41,46)(H,42,50)(H,53,54)(H2,43,44,45)/t17-,18-,19-,20+,21+,25+,26-,27+,28-,29-,30+/m0/s1 |
| SMILES | CC(=O)N[C@@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1NC2=N[C@@H]([C@H](N2)[C@@H](CN)O)C(=O)O)COC(=O)N)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Gan, Maoluo; Zheng, Xudong; Liu, Yufeng; Guan, Yan; Xiao, Chunling Three new 12-carbamoylated streptothricins from Streptomyces sp. I08A 1776 Bioorganic and Medicinal Chemistry Letters 2012 22 (19) 6151-6154. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2012.08.003 | PMID | 22939698 |
