CHEBI:65179 - β-D-Galp3S-(1→4)-β-D-Glcp

ChEBI IDCHEBI:65179
ChEBI Nameβ-D-Galp3S-(1→4)-β-D-Glcp
Stars
ASCII Namebeta-D-Galp3S-(1->4)-beta-D-Glcp
DefinitionA glycosylglucose derivative that consists of β-D-glucose having a 3-sulfated β-D-galactosyl residue attached at position 4.
Last Modified5 April 2024
SubmitterSteve
DownloadsMolfile
FormulaC12H22O14S
Net Charge0
Average Mass422.361
Monoisotopic Mass422.07303
SMILESO=S(=O)(O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@@H]1O
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2/a4-b1
InChIInChI=1S/C12H22O14S/c13-1-3-5(15)10(26-27(20,21)22)8(18)12(24-3)25-9-4(2-14)23-11(19)7(17)6(9)16/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5+,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKeyZMPFTLRVVIHHOO-QFKDBGNMSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp3S-(1→4)-β-D-Glcp (CHEBI:65179) has role epitope (CHEBI:53000)
β-D-Galp3S-(1→4)-β-D-Glcp (CHEBI:65179) is a glycosylglucose derivative (CHEBI:63361)
β-D-Galp3S-(1→4)-β-D-Glcp (CHEBI:65179) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name 
3-O-sulfo-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose
Synonyms  Source
3-O-sulfo-β-D-galactosyl-(1→4)-β-D-glucoseChEBI
β-D-Gal3S-(1→4)-β-D-GlcChEBI
[3OSO3]Galβ1-4GlcβChEBI
4-O-(3-O-sulfo-β-D-galactopyranosyl)-β-D-glucopyranoseIUPAC
(3S)Galb1-4GlcbChEBI
(3S)Galβ1-4GlcβChEBI
Manual XrefsDatabases
G20044TDGlyTouCan
G20044TDGlyGen
Registry NumbersSources
Reaxys:8365153Reaxys
Citations