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CHEBI:72594 - α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc
| Formula | C51H85N3O37 |
| Net Charge | 0 |
| Average Mass | 1332.225 |
| Monoisotopic Mass | 1331.48619 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)[C@@H]4O)O[C@H](CO)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/4,7,6/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-1-3-4-2/a3-b1_a4-c1_c3-d1_d3-e1_d4-g1_e3-f2 |
| InChI | InChI=1S/C51H85N3O37/c1-12-26(65)31(70)33(72)46(79-12)85-38-22(11-59)84-45(89-42-29(68)19(8-56)82-48(35(42)74)86-37-21(10-58)81-44(76)24(53-15(4)61)40(37)87-47-34(73)32(71)27(66)13(2)80-47)25(54-16(5)62)41(38)88-49-36(75)43(30(69)20(9-57)83-49)91-51(50(77)78)6-17(63)23(52-14(3)60)39(90-51)28(67)18(64)7-55/h12-13,17-49,55-59,63-76H,6-11H2,1-5H3,(H,52,60)(H,53,61)(H,54,62)(H,77,78)/t12-,13-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39+,40+,41+,42-,43-,44+,45-,46-,47-,48-,49-,51-/m0/s1 |
| InChIKey | JFYUPVMIZXWKDU-VXRIXNKVSA-N |
| Roles Classification |
|---|
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:72594) has role epitope (CHEBI:53000) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:72594) is a amino heptasaccharide (CHEBI:70970) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→3)-[α-L-Fucp-(1→4)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc (CHEBI:72594) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-Neu5Ac-(2→3)-β-D-Gal-(1→3)-[α-L-Fuc-(1→4)]-β-D-GlcNAc-(1→3)-β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc | ChEBI |
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranose | IUPAC |
| N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→3)-[α-L-fucosyl-(1→4)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosamine | ChEBI |
| NeuAcα2-3Galβ1-3(Fucα1-4)GlcNAcβ1-3Galβ1-4(Fucα1-3)GlcNAcβ | ChEBI |
| Neu5Aca2-3Galb1-3(Fuca1-4)GlcNAcb1-3Galb1-4(Fuca1-3)GlcNAcb | ChEBI |
| , O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-[6-deoxy-α-L-galactopyranosyl-(1→4)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-β-D-galactopyranosyl-(1→4)-O-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranose | ChEBI |
| Citations |
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