EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C32H55NO26 |
| Net Charge | 0 |
| Average Mass | 869.773 |
| Monoisotopic Mass | 869.30123 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1a_1-5]/1-2-3-2-4/a4-b1_b6-c1_c4-d1_d3-e1 |
| InChI | InChI=1S/C32H55NO26/c1-7(38)33-13-17(42)25(57-32-24(49)27(16(41)9(3-35)54-32)59-30-22(47)18(43)14(39)8(2-34)53-30)11(5-37)55-29(13)51-6-12-15(40)19(44)23(48)31(56-12)58-26-10(4-36)52-28(50)21(46)20(26)45/h8-32,34-37,39-50H,2-6H2,1H3,(H,33,38)/t8-,9-,10-,11-,12-,13-,14+,15+,16+,17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27+,28?,29-,30-,31+,32+/m1/s1 |
| InChIKey | BPOHOIOXNANONG-NIOSIUQOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Galp-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-D-Glcp (CHEBI:62092) is a amino pentasaccharide (CHEBI:59268) |
| IUPAC Name |
|---|
| α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl-(1→4)-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-D-Glc | ChEBI |
| Gal-α(1,3)Gal-β(1,4)GlcNAc-β(1,3)Gal-β(1,4)Glc | ChEBI |
| Citations |
|---|