EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H14N4O4 |
| Net Charge | 0 |
| Average Mass | 266.257 |
| Monoisotopic Mass | 266.10150 |
| SMILES | O=c1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)cnc12 |
| InChI | InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 |
| InChIKey | IWKXDMQDITUYRK-KUBHLMPHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| immucillin H (CHEBI:43362) is a dihydroxypyrrolidine (CHEBI:46776) |
| immucillin H (CHEBI:43362) is a pyrrolopyrimidine (CHEBI:38670) |
| IUPAC Name |
|---|
| 7-[(2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one |
| Synonyms | Source |
|---|---|
| 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL | PDBeChem |
| Forodesine | ChemIDplus |
| (1S)-1,4-dideoxy-4-imino-(9-deazahypoxanthin-9-yl)-D-ribitol | IUPAC |
| Immucillin-H | ChemIDplus |
| Fodosine | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| IMH | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Beilstein:8574770 | Beilstein |
| CAS:209799-67-7 | ChemIDplus |