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CHEBI:147940 - β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S
| Formula | C16H28N2O14S |
| Net Charge | 0 |
| Average Mass | 504.467 |
| Monoisotopic Mass | 504.12612 |
| SMILES | CC(=O)N[C@@H]1[C@@H](OS(=O)(=O)O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O_3*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a6-b1 |
| InChI | InChI=1S/C16H28N2O14S/c1-5(20)17-9-13(24)11(22)7(3-19)31-16(9)29-4-8-12(23)14(32-33(26,27)28)10(15(25)30-8)18-6(2)21/h7-16,19,22-25H,3-4H2,1-2H3,(H,17,20)(H,18,21)(H,26,27,28)/t7-,8-,9-,10-,11-,12+,13-,14-,15+,16-/m1/s1 |
| InChIKey | YYINQXJYCFYYKE-FJSBWOFQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S (CHEBI:147940) has functional parent N-acetyl-β-D-glucosamine (CHEBI:28009) |
| β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S (CHEBI:147940) has functional parent β-D-GlcpNAc-(1→6)-α-D-GalpNAc (CHEBI:71411) |
| β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S (CHEBI:147940) is a acetamides (CHEBI:22160) |
| β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S (CHEBI:147940) is a amino disaccharide (CHEBI:22480) |
| β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S (CHEBI:147940) is a glucosamine oligosaccharide (CHEBI:22485) |
| β-D-GlcpNAc-(1→6)-α-D-GalpNAc3S (CHEBI:147940) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Names |
|---|
| GlcNAc(b1-6)a-GalNAc3S |
| 2-acetamido-6-O-(2-acetamido-2-deoxy-β-D-glucopyranosyl)-2-deoxy-3-O-sulfo-α-D-galactopyranose |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→6)-2-acetamido-2-deoxy-3-O-sulfo-α-D-galacto-hexopyranose | IUPAC |
| [(2R,3S,4R,5R,6S)-5-acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl] hydrogen sulfate | IUPAC |