EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H45NO20 |
| Net Charge | 0 |
| Average Mass | 691.633 |
| Monoisotopic Mass | 691.25349 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2112h-1x_1-5][a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4/a3-b1_b3-c1_b4-d1 |
| InChI | InChI=1S/C26H45NO20/c1-6-12(32)15(35)17(37)25(41-6)45-20-10(5-30)44-24(47-22-14(34)9(4-29)42-23(40)19(22)39)11(27-7(2)31)21(20)46-26-18(38)16(36)13(33)8(3-28)43-26/h6,8-26,28-30,32-40H,3-5H2,1-2H3,(H,27,31)/t6-,8+,9+,10+,11+,12+,13-,14-,15+,16-,17-,18+,19+,20+,21+,22-,23?,24+,25-,26-/m0/s1 |
| InChIKey | CNKRQAPRNDWIMW-KIGDFVEPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-L-Fucp-(1→4)-[β-D-Galp-(1→3)]-α-D-GlcpNAc-(1→3)-D-Galp (CHEBI:146069) is a acetamides (CHEBI:22160) |
| α-L-Fucp-(1→4)-[β-D-Galp-(1→3)]-α-D-GlcpNAc-(1→3)-D-Galp (CHEBI:146069) is a amino tetrasaccharide (CHEBI:59412) |
| α-L-Fucp-(1→4)-[β-D-Galp-(1→3)]-α-D-GlcpNAc-(1→3)-D-Galp (CHEBI:146069) is a oligosaccharide (CHEBI:50699) |
| IUPAC Names |
|---|
| Gal(b1-3)[Fuc(a1-4)]GlcNAc(a1-3)Gal |
| 6-deoxy-α-L-galactopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-D-galactopyranose |
| α-L-fucopyranosyl-(1→4)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→3)-D-galactopyranose |
| Synonyms | Source |
|---|---|
| β-D-galacto-hexopyranosyl-(1→3)-[6-deoxy-α-L-galacto-hexopyranosyl-(1→4)]-2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→3)-D-galacto-hexopyranose | IUPAC |
| N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide | IUPAC |