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CHEBI:149282 - 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)]-D-glucopyranose

ChEBI IDCHEBI:149282
ChEBI Name5-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)]-D-glucopyranose
Stars
ASCII Name5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-D-glucopyranose
DefinitionAn amino tetrasaccharide comprising of α-Neu5Ac-(2→3)-β-D-gal-(1→4)-D-glc in which the D-glc residue is substituted by an α-L-Fuc group at position 3. It is found in human milk.
Last Modified8 August 2023
SubmitterGareth Owen
DownloadsMolfile
FormulaC29H49NO23
Net Charge0
Average Mass779.695
Monoisotopic Mass779.26954
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](O)C(O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O
WURCSWURCS=2.0/4,4,3/[a2122h-1x_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4/a3-b1_a4-c1_c3-d2
InChIInChI=1S/C29H49NO23/c1-7-14(37)17(40)18(41)26(47-7)51-24-19(42)25(44)48-12(6-33)21(24)50-27-20(43)23(16(39)11(5-32)49-27)53-29(28(45)46)3-9(35)13(30-8(2)34)22(52-29)15(38)10(36)4-31/h7,9-27,31-33,35-44H,3-6H2,1-2H3,(H,30,34)(H,45,46)/t7-,9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,24+,25?,26-,27-,29-/m0/s1
InChIKeyLTIQZTOACJJKGQ-VLJHSQLWSA-N
Species of MetaboliteComponentSourceComments
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)
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)]-D-glucopyranose (CHEBI:149282) has role human metabolite (CHEBI:77746)
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)]-D-glucopyranose (CHEBI:149282) is a amino tetrasaccharide (CHEBI:59412)
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)]-D-glucopyranose (CHEBI:149282) is a neuraminic acids (CHEBI:25508)
IUPAC Name 
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)]-D-glucopyranose
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-[6-deoxy-α-L-galacto-hexopyranosyl-(1→3)]-D-gluco-hexopyranoseSUBMITTER
Neu5Ac(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcSUBMITTER
3'-sialyl-3-fucosyllactoseChEBI
3'S3FLChEBI
3'S-3FLChEBI
Neu5Ac(α2→3)Gal(β1→4)[Fuc(α1→3)]GlcChEBI
Manual XrefsDatabases
G32685CPGlyTouCan
G32685CPGlyGen
G00437KEGG GLYCAN
Citations