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CHEBI:87083 - β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-L-Fucp-(1→4)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)]-β-D-GlcppNAc-(1→3)}-β-D-Gal-(1→4)-D-Glcp
| Formula | C58H98N2O43 |
| Net Charge | 0 |
| Average Mass | 1511.393 |
| Monoisotopic Mass | 1510.55433 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,9,8/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-2-4-4-3-4-2/a4-b1_b3-c1_b6-g1_c3-d1_c4-f1_d2-e1_g3-h1_g4-i1 |
| InChI | InChI=1S/C58H98N2O43/c1-12-25(68)31(74)38(81)53(88-12)98-45-21(10-65)95-52(24(60-16(5)67)47(45)101-58-49(35(78)29(72)18(7-62)93-58)103-55-40(83)33(76)27(70)14(3)90-55)102-48-30(73)22(96-57(42(48)85)97-43-19(8-63)91-50(86)37(80)36(43)79)11-87-51-23(59-15(4)66)46(100-54-39(82)32(75)26(69)13(2)89-54)44(20(9-64)94-51)99-56-41(84)34(77)28(71)17(6-61)92-56/h12-14,17-58,61-65,68-86H,6-11H2,1-5H3,(H,59,66)(H,60,67)/t12-,13-,14-,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+,50?,51+,52-,53-,54-,55-,56-,57-,58-/m0/s1 |
| InChIKey | IFXACYDZKIQNBA-DMKKLWPTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | milk (BTO:0000868) | PubMed (26613816) |
| Roles Classification |
|---|
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-L-Fucp-(1→4)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)]-β-D-GlcppNAc-(1→3)}-β-D-Gal-(1→4)-D-Glcp (CHEBI:87083) has role human metabolite (CHEBI:77746) |
| β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-L-Fucp-(1→4)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)]-β-D-GlcppNAc-(1→3)}-β-D-Gal-(1→4)-D-Glcp (CHEBI:87083) is a amino nonasaccharide (CHEBI:68818) |
| β-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→6)-{α-L-Fucp-(1→4)-[α-L-Fucp-(1→2)-β-D-Galp-(1→3)]-β-D-GlcppNAc-(1→3)}-β-D-Gal-(1→4)-D-Glcp (CHEBI:87083) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| α-L-fucopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[α-L-fucopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose |
| Synonyms | Source |
|---|---|
| Galb1-4(Fuca1-3)GlcNAcb1-6(Fuca1-4(Fuca1-2Galb1-3)GlcNAcb1-3)Galb1-4Glc | ChEBI |
| β-D-Gal-(1→4)-[α-L-Fuc-(1→3)]-β-D-GlcNAc-(1→6)-{α-L-Fuc-(1→4)-[α-L-Fuc-(1→2)-β-D-Gal-(1→3)]-β-D-GlcNAc-(1→3)}-β-D-Gal-(1→4)-D-Glc | ChEBI |
| 6-deoxy-α-L-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[6-deoxy-α-L-galactopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)]-β-D-galactopyranosyl-(1→4)-D-glucopyranose | IUPAC |
| α-L-fucosyl-(1→4)-[α-L-fucosyl-(1→2)-β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-[α-L-fucosyl-(1→3)-[β-D-galactosyl-(1→4)]-N-acetyl-β-D-glucosaminyl-(1→6)]-β-D-galactosyl-(1→4)-D-glucose | ChEBI |
| Galβb1-4(Fucα1-3)GlcNAcβ1-6(Fucα1-4(Fucα1-2Galβ1-3)GlcNAcβ1-3)Galβ1-4Glc | ChEBI |
| O-6-deoxy-α-L-galactopyranosyl-(1→4)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→2)-β-D-galactopyranosyl-(1→3)]-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-O-β-D-galactopyranosyl-(1→4)-D-glucopyranose | ChEBI |
| Citations |
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