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CHEBI:145604 - β-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-α-D-GalpNAc

ChEBI IDCHEBI:145604
ChEBI Nameβ-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-α-D-GalpNAc
Stars
ASCII Namebeta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)-alpha-D-GalpNAc
DefinitionA β-D-Galp-(1→3)-D-GalpNAc-(1→3)-D-GalpNAc in which both of the N-acetylgalactose units have α configuration at position 1.
Last Modified20 April 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC22H38N2O16
Net Charge0
Average Mass586.544
Monoisotopic Mass586.22213
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/2,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-1-2/a3-b1_b3-c1
InChIInChI=1S/C22H38N2O16/c1-6(28)23-11-18(14(31)9(4-26)36-20(11)35)39-21-12(24-7(2)29)19(15(32)10(5-27)37-21)40-22-17(34)16(33)13(30)8(3-25)38-22/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15+,16+,17-,18-,19-,20+,21-,22+/m1/s1
InChIKeyCATLUVBGMBLUIJ-ZWYSGMQNSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→3)-α-D-GalpNAc-(1→3)-α-D-GalpNAc (CHEBI:145604) is a β-D-Galp-(1→3)-D-GalpNAc-(1→3)-D-GalpNAc (CHEBI:61787)
IUPAC Name 
β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-α-D-galactopyranose
Synonyms  Source
N-[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideIUPAC
Gal(b1-3)GalNAc(a1-3)a-GalNAcIUPAC
Manual XrefsDatabases
G32397ELGlyTouCan
G32397ELGlyGen