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CHEBI:747392 - 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

Default Structure
ChEBI IDCHEBI:747392
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
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
Last Modified4 March 2026
SubmitterAdnan
DownloadsMolfile
FormulaC45H72N2O43S2
Net Charge0
Average Mass1393.176
Monoisotopic Mass1392.29502
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)/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-N
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 (CHEBI:747392) is a amino heptasaccharide (CHEBI:70970)
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 a oligosaccharide sulfate (CHEBI:37909)
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)
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(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)
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-yl group (CHEBI:63515) is substituent group from 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)