EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H39NO8 |
| Net Charge | 0 |
| Average Mass | 421.531 |
| Monoisotopic Mass | 421.26757 |
| SMILES | [H]OC([H])([H])[C@@]1([H])O[C@@]([H])(OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@]([H])(O[C@]2([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C2([H])[H])[C@@]([H])(N([H])[H])[C@@]1([H])O[H] |
| InChI | InChI=1S/C20H39NO8/c1-3-4-5-6-7-8-9-26-20-19(16(21)18(25)14(11-22)28-20)29-15-10-13(23)17(24)12(2)27-15/h12-20,22-25H,3-11,21H2,1-2H3/t12-,13-,14+,15-,16-,17+,18-,19+,20+/m0/s1 |
| InChIKey | GHTLMVRROQXELT-HTYYFBMYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside (CHEBI:49466) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| octyl 3-amino-3-deoxy-2-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-galactopyranoside | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| AD7 | PDBeChem |