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CHEBI:145702 - β-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-O[CH2]3NH3+

ChEBI IDCHEBI:145702
ChEBI Nameβ-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-O[CH2]3NH3+
Stars
ASCII Namebeta-D-Galp-(1->4)-[beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-O[CH2]3NH3(+)
DefinitionA glycoside that is β-D-Gal-(1→4)-[β-D-GalA−-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc in which the hydroxy group at the reducing-end anomeric centre is replaced by a 3-azaniumylpropyl group.
Last Modified18 December 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC29H50N2O22
Net Charge0
Average Mass778.711
Monoisotopic Mass778.28552
SMILESCC(=O)N[C@H]1[C@H](OCCC[NH3+])O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C29H50N2O22/c1-8(34)31-12-14(36)23(52-28-19(41)15(37)13(35)9(5-32)48-28)11(50-26(12)46-4-2-3-30)7-47-27-21(43)18(40)22(10(6-33)49-27)51-29-20(42)16(38)17(39)24(53-29)25(44)45/h9-24,26-29,32-33,35-43H,2-7,30H2,1H3,(H,31,34)(H,44,45)/t9-,10-,11-,12-,13+,14-,15+,16+,17-,18-,19-,20-,21-,22-,23-,24+,26-,27-,28+,29-/m1/s1
InChIKeyGEZIYIIPFUIWCR-OMOIZKARSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-O[CH2]3NH3+ (CHEBI:145702) has functional parent β-D-Galp-(1→4)-[β-D-Galp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc (CHEBI:61841)
β-D-Galp-(1→4)-[β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-O[CH2]3NH3+ (CHEBI:145702) is a glycoside (CHEBI:24400)
IUPAC Name 
3-{[β-D-galactopyranosyl-(1→4)-[β-D-galactopyranuronosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}propan-1-aminium
Synonyms  Source
3-azaniumylpropyl 2-acetamido-4-O-β-D-galactopyranosyl-6-O-[4-O-(β-D-galactopyranosyl uronate)-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosideChEBI
3-ammoniumpropyl 2-acetamido-4-O-β-D-galactopyranosyl-6-O-[4-O-(β-D-galactopyranosyl uronate)-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosideChEBI
3-ammoniopropyl 2-acetamido-4-O-β-D-galactopyranosyl-6-O-[4-O-(β-D-galactopyranosyl uronate)-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosideChEBI
β-D-Gal-(1→4)-[β-D-GalA−-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-O[CH2]3NH3+ChEBI
3-ammoniopropyl β-D-galactosyl-(1→4)-[β-D-galacturonosyl-(1→4)-β-D-glucosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucosideChEBI
β-D-GalpA−-(1→4)-β-D-Glcp-(1→6)-[β-D-Galp-(1→4)]-β-D-GlcpNAc-O[CH2]3NH3+IUPAC
Citations