EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:145454 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
| Formula | C65H108N4O47 |
| Net Charge | 0 |
| Average Mass | 1697.560 |
| Monoisotopic Mass | 1696.61839 |
| 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](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]7CO)[C@@H]6O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/5,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-3-4-2-5/a4-b1_b3-c1_c3-d1_c4-e1_e3-f1_f3-g1_f4-h1_h3-i2 |
| InChI | InChI=1S/C65H108N4O47/c1-15-33(83)40(90)42(92)59(100-15)111-51-31(68-19(5)79)57(113-53-36(86)23(9-71)103-61(44(53)94)108-47-26(12-74)102-56(97)30(39(47)89)67-18(4)78)106-27(13-75)48(51)109-62-45(95)54(37(87)24(10-72)104-62)114-58-32(69-20(6)80)52(112-60-43(93)41(91)34(84)16(2)101-60)49(28(14-76)107-58)110-63-46(96)55(38(88)25(11-73)105-63)116-65(64(98)99)7-21(81)29(66-17(3)77)50(115-65)35(85)22(82)8-70/h15-16,21-63,70-76,81-97H,7-14H2,1-6H3,(H,66,77)(H,67,78)(H,68,79)(H,69,80)(H,98,99)/t15-,16-,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+,50+,51+,52+,53-,54-,55-,56?,57-,58-,59-,60-,61-,62-,63-,65-/m0/s1 |
| InChIKey | MVHQMCYYWJOUQD-JJINHPHOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145460) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) is a carbohydrate acid derivative (CHEBI:63436) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) is a galactosamine oligosaccharide (CHEBI:22484) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) is a glucosamine oligosaccharide (CHEBI:22485) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) is conjugate acid of α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400) |
| Incoming Relation(s) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc(1−) (CHEBI:145400) is conjugate base of α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:145454) |
| IUPAC Names |
|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-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-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose |
| NeuAc(α2-3)Gal(β1-4)[Fuc(α1-3)]GlcNAc(β1-3)Gal(β1-4)[Fuc(α1-3)]GlcNAc(β1-3)Gal(β1-4)GlcNAc |
| Citations |
|---|