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CHEBI:148414 - β-D-Galp-(1→3)-β-D-GlcpNAc6S-(1→3)-D-GalNAc-OH
| Formula | C22H40N2O19S |
| Net Charge | 0 |
| Average Mass | 668.624 |
| Monoisotopic Mass | 668.19460 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | 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 |
| 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 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 |
| Synonym | Source |
|---|---|
| [(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 |