CHEBI:148414 - β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH
ChEBI ID CHEBI:148414
ChEBI ASCII Name beta-D-Galp-(1->3)-beta-D-GlcpNAc6S-(1->3)-D-GalNAc-OH
Definition An amino trisaccharide consisting of β-D-galactopyranosyl, 2-acetamido-2-deoxy-2-O-sulfo-β-D-glucopyranosyl and 2-acetamido-2-deoxygalactitol residues linked together in sequence by (1→3) glycosidic bonds.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Gareth Owen
Supplier Information
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Formula C22H40N2O19S
Net Charge 0
Average Mass 668.620
Monoisotopic Mass 668.19460
InChI InChI=1S/C22H40N2O19S/c1-7(28)23-9(3-25)19(14(31)10(30)4-26)42-21-13(24-8(2)29)20(16(33)12(41-21)6-39-44(36,37)38)43-22-18(35)17(34)15(32)11(5-27)40-22/h9-22,25-27,30-35H,3-6H2,1-2H3,(H,23,28)(H,24,29)(H,36,37,38)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20+,21-,22-/m0/s1
InChIKey JUBHPHIHWKWRQX-MRCIVFNLSA-N
SMILES O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)COS(O)(=O)=O)O[C@H]([C@@H](NC(=O)C)CO)[C@@H](O)[C@H](O)CO)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO
ChEBI Ontology
Outgoing β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH (CHEBI:148414) is a N-acyl-hexosamine (CHEBI:21656)
β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH (CHEBI:148414) is a acetamides (CHEBI:22160)
β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH (CHEBI:148414) is a amino trisaccharide (CHEBI:59266)
β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH (CHEBI:148414) is a oligosaccharide sulfate (CHEBI:37909)
IUPAC Name
β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-6-O-sulfo-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactitol
Synonyms Sources
[(2R,3S,4R,5R,6R)-5-acetamido-6-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate IUPAC
WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b3-c1 SUBMITTER
Manual Xrefs Databases
G22233KL GlyGen
G22233KL GlyTouCan
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Last Modified
04 May 2020