EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C78H130N6O54 |
| Net Charge | 0 |
| Average Mass | 2015.886 |
| Monoisotopic Mass | 2014.76109 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/6,11,10/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-5-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e3-f1_e4-g1_h2-i1_i3-j1_i4-k1 |
| InChI | InChI=1S/C78H130N6O54/c1-18-41(99)52(110)56(114)74(119-18)134-63-39(83-24(7)97)72(127-32(15-91)61(63)132-69-36(80-21(4)94)48(106)43(101)26(9-85)122-69)137-66-54(112)45(103)28(11-87)124-77(66)118-17-34-47(105)65(58(116)76(129-34)131-60-31(14-90)126-71(38(51(60)109)82-23(6)96)130-59-30(13-89)121-68(117)35(50(59)108)79-20(3)93)136-78-67(55(113)46(104)29(12-88)125-78)138-73-40(84-25(8)98)64(135-75-57(115)53(111)42(100)19(2)120-75)62(33(16-92)128-73)133-70-37(81-22(5)95)49(107)44(102)27(10-86)123-70/h18-19,26-78,85-92,99-117H,9-17H2,1-8H3,(H,79,93)(H,80,94)(H,81,95)(H,82,96)(H,83,97)(H,84,98)/t18-,19-,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+,64+,65-,66-,67-,68?,69-,70-,71-,72-,73-,74-,75-,76-,77-,78+/m0/s1 |
| InChIKey | DURBADKZBNSMRK-JVMVPYCASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:148958) is a amino oligosaccharide (CHEBI:22483) |
| α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:148958) is a galactosamine oligosaccharide (CHEBI:22484) |
| α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)-{α-L-Fucp-(1→3)-[β-D-GalpNAc-(1→4)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:148958) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| α-L-fucopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-{α-L-fucopyranosyl-(1→3)-[2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)}-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 6-deoxy-alpha-L-galacto-hexopyranosyl-(1→3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1→4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1→3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1→4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→2)-alpha-D-manno-hexopyranosyl-(1→6)]-beta-D-manno-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |
| Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-2)Man(a1-3)[Fuc(a1-3)[GalNAc(b1-4)]GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAc | SUBMITTER |
| N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |
| Fucα1-3(GalNAcβ1-4)GlclNAcβ1-2Manα1-3[Fucα1-3(GalNAcβ1-4)GlclNAcβ1-2Manα1-6]Manβ1-4GlcNAcβ1-4GlcNAc | IUPAC |
| N-acetyl-β-D-galactosaminyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→3)-{N-acetyl-β-D-galactosaminyl-(1→4)-[α-L-fucosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)}-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine | ChEBI |
| α-L-Fuc-(1→3)-[β-D-GalNAc-(1→4)]-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-{α-L-Fuc-(1→3)-[β-D-GalNAc-(1→4)]-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc | ChEBI |
| Citations |
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