EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:53489 - D-GalNAc-(1→3)-[D-GalNAc-(1→4)]-D-GalNAc-(1→3)-D-GalNAc-ol

ChEBI IDCHEBI:53489
ChEBI NameD-GalNAc-(1→3)-[D-GalNAc-(1→4)]-D-GalNAc-(1→3)-D-GalNAc-ol
Stars
ASCII NameD-GalNAc-(1->3)-[D-GalNAc-(1->4)]-D-GalNAc-(1->3)-D-GalNAc-ol
DefinitionAn amino tetrasaccharide consisting of a D-GalNAc-(1→3)-[D-GalNAc-(1→4)]-D-GalNAc moiety attached to N-acetyl-D-galactosaminitol via a (1→3)-linkage.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC32H56N4O21
Net Charge0
Average Mass832.807
Monoisotopic Mass832.34370
SMILESCC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C32H56N4O21/c1-10(42)33-14(5-37)27(22(47)15(46)6-38)55-32-21(36-13(4)45)29(57-31-20(35-12(3)44)26(51)24(49)17(8-40)53-31)28(18(9-41)54-32)56-30-19(34-11(2)43)25(50)23(48)16(7-39)52-30/h14-32,37-41,46-51H,5-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t14-,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30?,31?,32?/m0/s1
InChIKeyDVDUNSWPZDVEGG-QSLANCFMSA-N
Roles Classification
Biological Role:
carbohydrate allergen  Any carbohydrate, carbohydrate derivative or derived substituent group which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
D-GalNAc-(1→3)-[D-GalNAc-(1→4)]-D-GalNAc-(1→3)-D-GalNAc-ol (CHEBI:53489) has role carbohydrate allergen (CHEBI:143231)
D-GalNAc-(1→3)-[D-GalNAc-(1→4)]-D-GalNAc-(1→3)-D-GalNAc-ol (CHEBI:53489) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
2-acetamido-2-deoxy-D-galactopyranosyl-(1→3)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1→4)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactitol
Synonym  Source
HPG-Beta2-N4bChEBI
Citations