EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C34H58N2O28S |
| Net Charge | 0 |
| Average Mass | 974.891 |
| Monoisotopic Mass | 974.28968 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/5,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4-5/a3-b1_a6-d1_b2-c1_d4-e1 |
| InChI | InChI=1S/C34H58N2O28S/c1-8-17(42)22(47)24(49)32(56-8)63-29-23(48)18(43)11(4-37)59-34(29)62-27-16(36-10(3)41)30(51)57-14(20(27)45)7-55-31-15(35-9(2)40)21(46)26(13(6-39)60-31)61-33-25(50)28(64-65(52,53)54)19(44)12(5-38)58-33/h8,11-34,37-39,42-51H,4-7H2,1-3H3,(H,35,40)(H,36,41)(H,52,53,54)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23-,24-,25+,26+,27+,28-,29+,30?,31+,32-,33-,34-/m0/s1 |
| InChIKey | KRFRMFUYSBHOTA-VGJVGDDUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-L-Fucp-(1→2)-β-D-Galp-(1→3)-[3-O-sulfo-β-D-Galp3S-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:146819) has functional parent α-L-Fucp-(1→2)-β-D-Galp-(1→3)-D-GalpNAc (CHEBI:84728) |
| α-L-Fucp-(1→2)-β-D-Galp-(1→3)-[3-O-sulfo-β-D-Galp3S-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:146819) has functional parent β-D-Galp-(1→3)-[β-D-Galp3S-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:147243) |
| α-L-Fucp-(1→2)-β-D-Galp-(1→3)-[3-O-sulfo-β-D-Galp3S-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:146819) is a acetamides (CHEBI:22160) |
| α-L-Fucp-(1→2)-β-D-Galp-(1→3)-[3-O-sulfo-β-D-Galp3S-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:146819) is a amino pentasaccharide (CHEBI:59268) |
| α-L-Fucp-(1→2)-β-D-Galp-(1→3)-[3-O-sulfo-β-D-Galp3S-(1→4)-β-D-GlcpNAc-(1→6)]-D-GalpNAc (CHEBI:146819) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Names |
|---|
| Fuc(a1-2)Gal(b1-3)[Gal3S(b1-4)GlcNAc(b1-6)]GalNAc |
| α-L-fucoopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)-[3-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactopyranose |
| 6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)-[3-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galactopyranose |
| Synonyms | Source |
|---|---|
| 6-deoxy-α-L-galacto-hexopyranosyl-(1→2)-β-D-galacto-hexopyranosyl-(1→3)-[3-O-sulfo-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose | IUPAC |
| [(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-6-[[(2R,3R,4R,5R)-5-acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate | IUPAC |