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CHEBI:747393 - β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(4−)

Default Structure
ChEBI IDCHEBI:747393
ChEBI Nameβ-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(4−)
Stars
ASCII Namebeta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-GalNAc4,6S2-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl(4-)
DefinitionA carbohydrate acid derivative anion resulting from the deprotonation of the two sulfo and two carboxy groups of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl; Major species at pH 7.3.
Last Modified4 March 2026
SubmitterAdnan
DownloadsMolfile
FormulaC45H68N2O43S2
Net Charge-4
Average Mass1389.144
Monoisotopic Mass1388.26592
SMILESCC(=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](COS(=O)(=O)[O-])[C@@H]3OS(=O)(=O)[O-])O[C@@H]2C(=O)[O-])O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C45H72N2O43S2/c1-8(51)46-15-21(57)17(53)10(3-48)78-40(15)86-33-22(58)25(61)42(88-35(33)37(65)66)83-30-16(47-9(2)52)41(82-14(7-77-91(70,71)72)29(30)90-92(73,74)75)87-34-23(59)26(62)43(89-36(34)38(67)68)84-32-20(56)12(5-50)80-45(28(32)64)85-31-19(55)11(4-49)79-44(27(31)63)81-13-6-76-39(69)24(60)18(13)54/h10-36,39-45,48-50,53-64,69H,3-7H2,1-2H3,(H,46,51)(H,47,52)(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
InChIKeyGKTLYHZQSVLDGY-FFAJMQJESA-J
ChEBI Ontology
Outgoing Relation(s)
β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(4−) (CHEBI:747393) is a carbohydrate acid derivative anion (CHEBI:63551)
β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(4−) (CHEBI:747393) is a organosulfate oxoanion (CHEBI:58958)
β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(4−) (CHEBI:747393) is conjugate base of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747392)
Incoming Relation(s)
β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl (CHEBI:747392) is conjugate acid of β-D-GalNAc-(1→4)-β-D-GlcA-(1→3)-β-D-GalNAc4,6S2-(1→4)-β-D-GlcA-(1→3)-β-D-Gal-(1→3)-β-D-Gal-(1→4)-β-D-Xyl(4−) (CHEBI:747393)