EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C34H59NO20 |
| Net Charge | 0 |
| Average Mass | 801.833 |
| Monoisotopic Mass | 801.36304 |
| SMILES | C=CCCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[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]3NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O |
| InChI | InChI=1S/C34H59NO20/c1-4-5-6-7-8-9-10-48-32-27(47)28(22(42)17(12-37)51-32)53-34-30(55-33-26(46)25(45)20(40)14(2)49-33)29(23(43)18(13-38)52-34)54-31-19(35-15(3)39)24(44)21(41)16(11-36)50-31/h4,14,16-34,36-38,40-47H,1,5-13H2,2-3H3,(H,35,39)/t14-,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26-,27+,28-,29-,30+,31+,32+,33-,34-/m0/s1 |
| InChIKey | OWJDMFQKZYTWMD-PRBBOZKASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-L-Fucp-(1→2)-[α-D-GalpNAc-(1→3)]-β-D-Galp-(1→3)-β-D-GalpO[CH2]6CH=CH2 (CHEBI:139309) has functional parent oct-7-en-1-ol (CHEBI:139284) |
| α-L-Fucp-(1→2)-[α-D-GalpNAc-(1→3)]-β-D-Galp-(1→3)-β-D-GalpO[CH2]6CH=CH2 (CHEBI:139309) has part α-L-Fucp-(1→2)-[α-D-GalpNAc-(1→3)]-β-D-Galp-(1→3)-β-D-Galp-yl group (CHEBI:139275) |
| α-L-Fucp-(1→2)-[α-D-GalpNAc-(1→3)]-β-D-Galp-(1→3)-β-D-GalpO[CH2]6CH=CH2 (CHEBI:139309) is a glycoside (CHEBI:24400) |
| IUPAC Name |
|---|
| oct-7-en-1-yl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→2)]-β-D-galactopyranosyl-(1→3)-β-D-galactopyranoside |
| Synonyms | Source |
|---|---|
| oct-7-en-1-yl N-acetyl-α-D-galactosaminyl-(1→3)-[α-L-fucosyl-(1→2)]-β-D-galactosyl-(1→3)-β-D-galactoside | ChEBI |
| α-L-Fuc-(1→2)-[α-D-GalNAc-(1→3)]-β-D-Gal-(1→3)-β-D-GalO[CH2]6CH=CH2 | ChEBI |
| oct-7-en-1-yl 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→2)]-β-D-galactopyranosyl-(1→3)-β-D-galactopyranoside | IUPAC |
| α-D-GalNAc-(1,3)-[α-L-Fuc-(1,2)]-β-D-Gal-(1,3)-β-D-Gal-(1,O)-(CH2)6CH=CH2 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:19783842 | Reaxys |
| Citations |
|---|