CHEBI:61712 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp
ChEBI ID CHEBI:61712
ChEBI ASCII Name alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp
Definition An amino pentasaccharide consisting of β-D-galactose at the reducing end having a β-D-glucosyl residue at the 4-position and an N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosyl moiety at the 3-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H62N2O29
Net Charge 0
Average Mass 998.88420
Monoisotopic Mass 998.34382
InChI InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-29(17)19(49)12(48)4-40)68-30-21(51)14(6-42)62-35(26(30)56)64-27-15(7-43)63-33(18(22(27)52)39-10(2)46)66-31-25(55)32(57)60-16(8-44)28(31)65-34-24(54)23(53)20(50)13(5-41)61-34/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(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 JTFSWAXKFBZNJE-IXANPYFWSA-N
SMILES [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O[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
ChEBI Ontology
Outgoing α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712) is a amino pentasaccharide (CHEBI:59268)
α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712) is a glucosamine oligosaccharide (CHEBI:22485)
Incoming α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-GalpO[CH2]2NH2 (CHEBI:149613) has functional parent α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-[β-D-Glcp-(1→4)]-β-D-Galp (CHEBI:61712)
IUPAC Name
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-β-D-galactopyranose
Synonyms Sources
5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulonosyl-(2→3)-β-D-galactosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucosyl-(1→3)-[β-D-glucosyl-(1→4)]-β-D-galactose ChEBI
α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-[β-D-Glc-(1→4)]-β-D-Gal ChEBI
N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→3)-[β-D-glucosyl-(1→4)]-β-D-galactose ChEBI
Streptococcal polysaccharide Ia group B ChemIDplus
Registry Number Type Source
84280-28-4 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
32274071 PubMed citation Europe PMC
3934276 PubMed citation Europe PMC
Last Modified
28 April 2020