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CHEBI:747397 - β-D-GalNAc-(1→4)-β-D-IdoA2S-(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(4−)
| Formula | C45H68N2O43S2 |
| Net Charge | -4 |
| Average Mass | 1389.144 |
| Monoisotopic Mass | 1388.26592 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](OS(=O)(=O)[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/C45H72N2O43S2/c1-8(52)46-15-21(58)17(54)10(3-48)77-40(15)86-33-25(62)34(90-92(73,74)75)45(88-36(33)38(67)68)82-29-16(47-9(2)53)41(80-13(6-51)28(29)89-91(70,71)72)85-32-22(59)24(61)42(87-35(32)37(65)66)83-31-20(57)12(5-50)79-44(27(31)64)84-30-19(56)11(4-49)78-43(26(30)63)81-14-7-76-39(69)23(60)18(14)55/h10-36,39-45,48-51,54-64,69H,3-7H2,1-2H3,(H,46,52)(H,47,53)(H,65,66)(H,67,68)(H,70,71,72)(H,73,74,75)/p-4/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 | YNZPCBXBMCAFFP-BYZVXRLHSA-J |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GalNAc-(1→4)-β-D-IdoA2S-(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(4−) (CHEBI:747397) is a organic anion (CHEBI:25696) |
| β-D-GalNAc-(1→4)-β-D-IdoA2S-(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(4−) (CHEBI:747397) is conjugate base of β-D-GalNAc-(1→4)-β-D-IdoA2S-(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:747396) |
| Incoming Relation(s) |
| β-D-GalNAc-(1→4)-β-D-IdoA2S-(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:747396) is conjugate acid of β-D-GalNAc-(1→4)-β-D-IdoA2S-(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(4−) (CHEBI:747397) |