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CHEBI:156317 - N-{α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc}-AEAB

ChEBI IDCHEBI:156317
ChEBI NameN-{α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc}-AEAB
Stars
ASCII NameN-{alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-AEAB
DefinitionA branched heptasaccharide consisting of four α-D-mannosyl residues, one β-D-mannosyl residue and two N-acetyl-β-D-glucosamine residues, one of which at the reducing end is bonded to the the aryl amino group of 2-amino-N-(2-aminoethyl)benzamide.
Last Modified21 August 2020
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC55H89N5O36
Net Charge0
Average Mass1396.316
Monoisotopic Mass1395.52872
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1Nc1ccccc1C(=O)NCCN
InChIInChI=1S/C55H89N5O36/c1-16(66)58-27-34(73)44(23(12-64)86-49(27)60-19-6-4-3-5-18(19)48(83)57-8-7-56)93-50-28(59-17(2)67)35(74)45(24(13-65)90-50)94-55-43(82)47(96-54-41(80)38(77)31(70)22(11-63)89-54)33(72)26(92-55)15-85-52-42(81)46(95-53-40(79)37(76)30(69)21(10-62)88-53)32(71)25(91-52)14-84-51-39(78)36(75)29(68)20(9-61)87-51/h3-6,20-47,49-55,60-65,68-82H,7-15,56H2,1-2H3,(H,57,83)(H,58,66)(H,59,67)/t20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,40+,41+,42+,43+,44-,45-,46+,47+,49-,50+,51+,52+,53-,54-,55+/m1/s1
InChIKeySCOIDMLUFJATID-KSGQRVASSA-N
ChEBI Ontology
Outgoing Relation(s)
N-{α-D-Man-(1→3)-[α-D-Man-(1→3)-[α-D-Man-(1→6)]-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc}-AEAB (CHEBI:156317) is a heptasaccharide derivative (CHEBI:63568)
IUPAC Name 
α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→3)-[α-D-mannopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-N-{2-[(2-aminoethyl)carbamoyl]phenyl}-2-deoxy-β-D-glucopyranosylamine
Citations