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CHEBI:40808 - ALLOSAMIDIN
| Formula | C25H42N4O14 |
| Net Charge | 0 |
| Average Mass | 622.625 |
| Monoisotopic Mass | 622.26975 |
| SMILES | [H]OC([H])([H])[C@]1([H])[C@@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])[C@@]3([H])N([H])C(=O)C([H])([H])[H])[C@@]([H])(O[H])[C@@]2([H])N([H])C(=O)C([H])([H])[H])[C@]([H])(O[H])[C@@]2([H])N=C(N(C([H])([H])[H])C([H])([H])[H])O[C@]21[H] |
| InChI | InChI=1S/C25H42N4O14/c1-8(33)26-14-17(36)16(35)11(6-31)39-23(14)42-22-12(7-32)40-24(15(19(22)38)27-9(2)34)41-21-10(5-30)20-13(18(21)37)28-25(43-20)29(3)4/h10-24,30-32,35-38H,5-7H2,1-4H3,(H,26,33)(H,27,34)/t10-,11+,12+,13+,14+,15+,16+,17-,18+,19-,20-,21+,22+,23-,24-/m0/s1 |
| InChIKey | MDWNFWDBQGOKNZ-XYUDZHFQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ALLOSAMIDIN (CHEBI:40808) is a N-acyl-hexosamine (CHEBI:21656) |
| Synonyms | Source |
|---|---|
| ALLOSAMIDIN | PDBeChem |
| (3aR,4R,5R,6S,6aS)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-allopyranosyl]-2-deoxy-beta-D-allopyranoside | PDBeChem |