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CHEBI:233538 - beta-D-GalNAc-(1→4)-beta-D-IdoA-(1→3)-beta-D-GalNAc4,6S-(1→4)-beta-D-GlcA-(1→3)-beta-D-Gal-(1→3)-beta-D-Gal-(1→4)-beta-D-Xyl-yl group

Default Structure
ChEBI IDCHEBI:233538
ChEBI Namebeta-D-GalNAc-(1→4)-beta-D-IdoA-(1→3)-beta-D-GalNAc4,6S-(1→4)-beta-D-GlcA-(1→3)-beta-D-Gal-(1→3)-beta-D-Gal-(1→4)-beta-D-Xyl-yl group
Stars
ASCII Namebeta-D-GalNAc-(1->4)-beta-D-IdoA-(1->3)-beta-D-GalNAc4,6S-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl-yl group
SubmitterR. Stephan
DownloadsMolfile
FormulaC46H74N2O42S2
Net Charge0
Average Mass1391.204
Monoisotopic Mass1390.31576
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](C)[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/C46H74N2O42S2/c1-9-19(54)21(56)15(7-76-9)81-45-29(64)33(22(57)13(5-50)79-45)85-46-30(65)34(23(58)14(6-51)80-46)84-44-28(63)26(61)36(38(89-44)40(68)69)87-42-18(48-11(3)53)32(31(90-92(73,74)75)16(82-42)8-77-91(70,71)72)83-43-27(62)25(60)35(37(88-43)39(66)67)86-41-17(47-10(2)52)24(59)20(55)12(4-49)78-41/h9,12-38,41-46,49-51,54-65H,4-8H2,1-3H3,(H,47,52)(H,48,53)(H,66,67)(H,68,69)(H,70,71,72)(H,73,74,75)/t9-,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-,37-,38-,41-,42-,43+,44+,45-,46-/m0/s1
InChIKeyHQWDUCYJCCLTHP-PDTFERSYSA-N
ChEBI Ontology
Outgoing Relation(s)
beta-D-GalNAc-(1→4)-beta-D-IdoA-(1→3)-beta-D-GalNAc4,6S-(1→4)-beta-D-GlcA-(1→3)-beta-D-Gal-(1→3)-beta-D-Gal-(1→4)-beta-D-Xyl-yl group (CHEBI:233538) is a organic molecular entity (CHEBI:50860)