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CHEBI:747386 - β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl
| Formula | C45H72N2O37 |
| Net Charge | 0 |
| Average Mass | 1233.048 |
| Monoisotopic Mass | 1232.38139 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]7CO[C@@H](O)[C@H](O)[C@H]7O)[C@@H]6O)[C@@H]5O)O[C@@H]4C(=O)O)[C@@H]3NC(C)=O)O[C@@H]2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C45H72N2O37/c1-8(52)46-15-22(59)17(54)10(3-48)73-40(15)81-33-23(60)26(63)42(83-35(33)37(67)68)78-30-16(47-9(2)53)41(74-11(4-49)19(30)56)82-34-24(61)27(64)43(84-36(34)38(69)70)79-32-21(58)13(6-51)76-45(29(32)66)80-31-20(57)12(5-50)75-44(28(31)65)77-14-7-72-39(71)25(62)18(14)55/h10-36,39-45,48-51,54-66,71H,3-7H2,1-2H3,(H,46,52)(H,47,53)(H,67,68)(H,69,70)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21+,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34+,35+,36+,39-,40+,41+,42-,43-,44+,45+/m1/s1 |
| InChIKey | JGYQBOKGHWGEQE-JUBBEEHTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747386) is a amino heptasaccharide (CHEBI:70970) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747386) is conjugate acid of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(2−) (CHEBI:747387) |
| Incoming Relation(s) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(2−) (CHEBI:747387) is conjugate base of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747386) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl-yl group (CHEBI:63511) is substituent group from β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747386) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-glucopyranuronosyl-(1→3)-β-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-xylopyranose |
| Synonyms | Source |
|---|---|
| GalNAc(b1-4)GlcA(b1-3)GalNAc(b1-4)GlcA(b1-3)Gal(b1-3)Gal(b1-4)b-Xyl | PubChem Compound |
| GalNAcβ1-4GlcAβ1-3GalNAcβ1-4GlcAβ1-3Galβ1-3Galβ1-4Xyl | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| G95036CM | GlyTouCan |
| Citations |
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