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CHEBI:747391 - β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(3−)
| Formula | C45H69N2O40S |
| Net Charge | -3 |
| Average Mass | 1310.088 |
| Monoisotopic Mass | 1309.31638 |
| 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](NC(C)=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-])O[C@H](CO)[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)[O-])O[C@H](CO)[C@H](O)[C@@H]1O |
| InChI | InChI=1S/C45H72N2O40S/c1-8(52)46-15-21(58)17(54)10(3-48)75-40(15)83-33-22(59)25(62)42(85-35(33)37(66)67)80-30-16(47-9(2)53)41(78-13(6-51)29(30)87-88(71,72)73)84-34-23(60)26(63)43(86-36(34)38(68)69)81-32-20(57)12(5-50)77-45(28(32)65)82-31-19(56)11(4-49)76-44(27(31)64)79-14-7-74-39(70)24(61)18(14)55/h10-36,39-45,48-51,54-65,70H,3-7H2,1-2H3,(H,46,52)(H,47,53)(H,66,67)(H,68,69)(H,71,72,73)/p-3/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 | VCXZBEMQNAXSDE-FFAJMQJESA-K |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(3−) (CHEBI:747391) is a carbohydrate acid derivative anion (CHEBI:63551) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(3−) (CHEBI:747391) is a carboxylic acid trianion (CHEBI:38717) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(3−) (CHEBI:747391) is a organosulfate oxoanion (CHEBI:58958) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(3−) (CHEBI:747391) is conjugate base of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747390) |
| Incoming Relation(s) |
| β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747390) is conjugate acid of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4S-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(3−) (CHEBI:747391) |