EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H44N6O9 |
| Net Charge | 0 |
| Average Mass | 572.660 |
| Monoisotopic Mass | 572.31698 |
| SMILES | O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCNC(=O)CCC(=O)N(O)CCCCN1 |
| InChI | InChI=1S/C25H44N6O9/c32-20-8-12-24(36)30(39)18-6-4-16-28-22(34)10-13-25(37)31(40)19-7-3-15-27-21(33)9-11-23(35)29(38)17-5-1-2-14-26-20/h38-40H,1-19H2,(H,26,32)(H,27,33)(H,28,34) |
| InChIKey | YEUGMACLLZSLDG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Desferrioxamine X1 (CHEBI:182834) is a azamacrocycle (CHEBI:52898) |
| Desferrioxamine X1 (CHEBI:182834) is a keratan 6'-sulfate (CHEBI:18331) |
| IUPAC Name |
|---|
| 1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexone |
| Manual Xrefs | Databases |
|---|---|
| 22369709 | ChemSpider |