EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:225003 - Dealanylascamycin
| Formula | C10H13ClN6O6S |
| Net Charge | 0 |
| Average Mass | 380.770 |
| Monoisotopic Mass | 380.03058 |
| SMILES | Nc1nc(Cl)nc2c1ncn2[C@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C10H13ClN6O6S/c11-10-15-7(12)4-8(16-10)17(2-14-4)9-6(19)5(18)3(23-9)1-22-24(13,20)21/h2-3,5-6,9,18-19H,1H2,(H2,12,15,16)(H2,13,20,21)/t3-,5-,6-,9+/m1/s1 |
| InChIKey | JHUGCRSKMUFKHR-BDXYJKHTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies (ncbitaxon:1931) | - | PubMed (6547710) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Dealanylascamycin (CHEBI:225003) is a purine nucleoside (CHEBI:26394) |
| IUPAC Name |
|---|
| [(2R,3S,4R,5S)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulamate |
| Manual Xrefs | Databases |
|---|---|
| 78443278 | ChemSpider |