EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H31N5O10 |
| Net Charge | 0 |
| Average Mass | 513.504 |
| Monoisotopic Mass | 513.20709 |
| SMILES | C/C(=C\CNc1ncnc2c1ncn2C1OC(CO)C(O)C1O)COC1OC(CO)C(O)C(O)C1O |
| InChI | InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+ |
| InChIKey | MVMBTNNVZQRZQT-XNWCZRBMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood plasma (BTO:0000131) | MetaboLights (MTBLS2633) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| trans-Zeatin-O-glucoside riboside (CHEBI:172726) is a purine nucleoside (CHEBI:26394) |
| IUPAC Name |
|---|
| 2-[(E)-4-[[9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]-2-methylbut-2-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| Manual Xrefs | Databases |
|---|---|
| HMDB0032880 | HMDB |