EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H32N6O13 |
| Net Charge | 0 |
| Average Mass | 612.549 |
| Monoisotopic Mass | 612.20274 |
| SMILES | COC1C(C(OC2OC(C(=O)NC3CCCCNC3=O)=CC(O)C2O)C(N)=O)OC(n2ccc(=O)nc2=O)C1OC(N)=O |
| InChI | InChI=1S/C24H32N6O13/c1-39-14-15(41-21(17(14)43-23(26)37)30-7-5-12(32)29-24(30)38)16(18(25)34)42-22-13(33)10(31)8-11(40-22)20(36)28-9-4-2-3-6-27-19(9)35/h5,7-10,13-17,21-22,31,33H,2-4,6H2,1H3,(H2,25,34)(H2,26,37)(H,27,35)(H,28,36)(H,29,32,38) |
| InChIKey | LFWCXMYKHTWICM-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomycesspecies SANK 62799 (ncbitaxon:701528) | - | PubMed (15638324) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| A-503083 B (CHEBI:199685) is a N-glycosyl compound (CHEBI:21731) |
| IUPAC Name |
|---|
| [5-[2-amino-1-[[3,4-dihydroxy-6-[(2-oxoazepan-3-yl)carbamoyl]-3,4-dihydro-2H-pyran-2-yl]oxy]-2-oxoethyl]-2-(2,4-dioxopyrimidin-1-yl)-4-methoxyoxolan-3-yl] carbamate |
| Manual Xrefs | Databases |
|---|---|
| 78443921 | ChemSpider |