EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H37O21P |
| Net Charge | 0 |
| Average Mass | 644.469 |
| Monoisotopic Mass | 644.15649 |
| SMILES | [H][C@]1([C@@H](O)CO)O[C@H](OC[C@H](O)[C@@]2([H])O[C@H](O)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H]1O |
| InChI | InChI=1S/C20H37O21P/c21-1-4(23)14-10(28)9(27)11(29)19(39-14)36-3-5(24)15-17(41-42(33,34)35)16(13(31)18(32)38-15)40-20-12(30)8(26)7(25)6(2-22)37-20/h4-32H,1-3H2,(H2,33,34,35)/t4-,5-,6+,7+,8-,9-,10-,11-,12+,13-,14+,15+,16+,17+,18-,19-,20+/m0/s1 |
| InChIKey | ZELTWDGCNLKHSH-SZCITUTKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Glcp-(1→3)-[L-α-D-Hepp-(1→7)]-L-α-D-Hepp-4P (CHEBI:59257) is a oligosaccharide phosphate (CHEBI:16916) |
| α-D-Glcp-(1→3)-[L-α-D-Hepp-(1→7)]-L-α-D-Hepp-4P (CHEBI:59257) is a trisaccharide derivative (CHEBI:63571) |
| IUPAC Name |
|---|
| α-D-glucopyranosyl-(1→3)-[L-glycero-α-D-manno-heptopyranosyl-(1→7)]-4-O-phosphono-L-glycero-α-D-manno-heptopyranose |
| Synonym | Source |
|---|---|
| α-D-glucosyl-(1→3)-[L-glycero-α-D-manno-heptosyl-(1→7)]-4-O-phosphono-L-glycero-α-D-manno-heptose | ChEBI |
| Citations |
|---|