CHEBI:148066 - 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose ChEBI ID CHEBI:148066 ChEBI ASCII Name 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose Definition A branched-chain amino pentasaccharide comprising of β-D-gal-(1→3)-β-D-GlcNAc-(1→3)-β-D-gal-(1→4)-D-glc in which the β-D-GlcNAc residue is substituted at position 6 by a α-Neu5Ac group. It is found in human milk. Stars This entity has been manually annotated by the ChEBI Team. Submitter Gareth Owen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C37H62N2O29 Net Charge 0 Average Mass 998.888 Monoisotopic Mass 998.34382 InChI InChI=1S/C37H62N2O29/c1-9(44)38-17-11(46)3-37(36(58)59,68-30(17)19(48)12(47)4-40)60-8-16-22(51)29(66-34-26(55)23(52)20(49)13(5-41)62-34)18(39-10(2)45)33(64-16)67-31-21(50)14(6-42)63-35(27(31)56)65-28-15(7-43)61-32(57)25(54)24(28)53/h11-35,40-43,46-57H,3-8H2,1-2H3,(H,38,44)(H,39,45)(H,58,59)/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20-,21-,22+,23-,24+,25+,26+,27+,28+,29+,30+,31-,32?,33-,34-,35-,37+/m0/s1 InChIKey CUBXDMAGVNYGST-UDDYFYEPSA-N SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in milk (BTO:0000868). See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose ) View more via ChEBI Ontology ChEBI Ontology Outgoing 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:148066) has role human metabolite (CHEBI:77746) 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:148066) is a amino pentasaccharide (CHEBI:59268) 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose (CHEBI:148066) is a neuraminic acids (CHEBI:25508) IUPAC Name 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-[β-D-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-D-glucopyranose Synonyms Sources β-D-galacto-hexopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→6)]-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-D-gluco-hexopyranose SUBMITTER Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-3)Gal(b1-4)Glc SUBMITTER Gal(β1→3)[NeuAc(α2→6)]GlcNAc(β1→3)Gal(β1→4)Glc ChEBI LS-tetrasaccharide b KEGG GLYCAN LST b KEGG GLYCAN LSTb ChEBI sialyllacto-N-tetraose b ChEBI WURCS=2.0/4,5,4/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-4/a4-b1_b3-c1_c3-d1_c6-e2 SUBMITTER Manual Xrefs Databases G00391 KEGG GLYCAN G19017MP GlyTouCan G19017MP GlyGen View more database links Citations Types Sources 15158661 PubMed citation Europe PMC 20824086 PubMed citation Europe PMC 25366395 PubMed citation Europe PMC 26613816 PubMed citation Europe PMC 32722157 PubMed citation Europe PMC 36768504 PubMed citation Europe PMC 3896152 PubMed citation Europe PMC 9271064 PubMed citation Europe PMC IND606543343 Agricola citation Europe PMC Last Modified 08 August 2023