EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H33NO13 |
| Net Charge | 0 |
| Average Mass | 483.467 |
| Monoisotopic Mass | 483.19519 |
| SMILES | [H]OC([H])([H])C1=C([H])[C@]([H])(N([H])[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H] |
| InChI | InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1 |
| InChIKey | SNMISNLUIRCRQE-SFSRYZOZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ACARBOSE DERIVED TRISACCHARIDE (CHEBI:39943) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose | PDBeChem |
| ACARBOSE DERIVED TRISACCHARIDE | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 3SA | PDBeChem |