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CHEBI:141592 - Pse-(2→6)-β-D-Glc-(1→6)-β-D-Gal-(1→3)-β-D-GalNAc-(1→3)-[Pse-(2→6)-β-D-Glc-(1→6)]-β-D-Gal-(1→3)-D-GalNAc

ChEBI IDCHEBI:141592
ChEBI NamePse-(2→6)-β-D-Glc-(1→6)-β-D-Gal-(1→3)-β-D-GalNAc-(1→3)-[Pse-(2→6)-β-D-Glc-(1→6)]-β-D-Gal-(1→3)-D-GalNAc
Stars
ASCII NamePse-(2->6)-beta-D-Glc-(1->6)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->3)-[Pse-(2->6)-beta-D-Glc-(1->6)]-beta-D-Gal-(1->3)-D-GalNAc
DefinitionAn amino octasaccharide consisting of two β-D-galactosyl-(1→3)-N-acetyl-D-galactosamine disaccharide units linked β(1→3), to each galactosyl residue of which is linked β(1→6) a pseudaminyl-(2→6)-D-glucosyl branch. The molecule represents two of the repeat units of the exopolysaccharide of the the Gram negative pathogen Acinetobacter baumannii strain 54149, of which the majority of the repeat units contain the aforementioned linked pseudaminic acid moiety (PMID:29965749).
Last Modified13 August 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC66H108N6O45
Net Charge0
Average Mass1705.587
Monoisotopic Mass1704.63471
SMILES[H][C@@]1([C@@H](NC(C)=O)[C@H](C)O)O[C@](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@@H](O)[C@@H](CO[C@@H]6O[C@H](CO[C@@]7(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@]([H])([C@@H](NC(C)=O)[C@H](C)O)O7)[C@@H](O)[C@H](O)[C@H]6O)O[C@@H](O[C@H]6[C@@H](O)[C@@H](CO)OC(O)[C@@H]6NC(C)=O)[C@@H]5O)[C@@H]4NC(C)=O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)(C(=O)O)C[C@H](O)[C@@H]1NC(C)=O
InChIInChI=1S/C66H108N6O45/c1-17(75)33(67-19(3)77)52-35(69-21(5)79)25(83)9-65(116-52,63(99)100)105-15-31-40(86)45(91)48(94)59(109-31)103-13-29-39(85)47(93)50(96)61(111-29)114-55-38(72-24(8)82)58(108-28(12-74)43(55)89)115-56-44(90)30(112-62(51(56)97)113-54-37(71-23(7)81)57(98)107-27(11-73)42(54)88)14-104-60-49(95)46(92)41(87)32(110-60)16-106-66(64(101)102)10-26(84)36(70-22(6)80)53(117-66)34(18(2)76)68-20(4)78/h17-18,25-62,73-76,83-98H,9-16H2,1-8H3,(H,67,77)(H,68,78)(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,99,100)(H,101,102)/t17-,18-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52-,53-,54+,55+,56-,57?,58-,59+,60+,61-,62-,65-,66-/m0/s1
InChIKeyNTTJYONMTIVKKH-NHHWVPRJSA-N
ChEBI Ontology
Outgoing Relation(s)
Pse-(2→6)-β-D-Glc-(1→6)-β-D-Gal-(1→3)-β-D-GalNAc-(1→3)-[Pse-(2→6)-β-D-Glc-(1→6)]-β-D-Gal-(1→3)-D-GalNAc (CHEBI:141592) is a amino octasaccharide (CHEBI:71060)
IUPAC Name 
5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranonosyl-(2→6)-β-D-glucopyranosyl-(1→6)-[5,7-diacetamido-3,5,7,9-tetradeoxy-L-glycero-α-L-manno-non-2-ulopyranonosyl-(2→6)-β-D-glucopyranosyl-(1→6)-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→3)]-β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactopyranose
Synonyms  Source
pseudaminyl-(2→6)-β-D-glucosyl-(1→6)-[pseudaminyl-(2→6)-β-D-glucosyl-(1→6)-β-D-galactosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→3)]-β-D-galactosyl-(1→3)-N-acetyl-D-galactosamineChEBI
Pse-(2→6)-β-D-Glcp-(1→6)-β-D-Galp-(1→3)-β-D-GalpNAc-(1→3)-[Pse-(2→6)-β-D-Glcp-(1→6)]-β-D-Galp-(1→3)-D-GalpNAcIUPAC
Citations