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CHEBI:62144 - β-D-GlcpA-(1→2)-α-D-Manp6Ac-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-α-D-Manp

ChEBI IDCHEBI:62144
ChEBI Nameβ-D-GlcpA-(1→2)-α-D-Manp6Ac-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-α-D-Manp
Stars
ASCII Namebeta-D-GlcpA-(1->2)-alpha-D-Manp6Ac-(1->3)-[beta-D-Xylp-(1->2)]-alpha-D-Manp-(1->3)-[beta-D-Xylp-(1->2)]-alpha-D-Manp-(1->3)-alpha-D-Manp
DefinitionA heptasaccharide derivative in which a backbone of one glucuronic acid, one 6-O-acetyl and three mannose residues is branched at each of the two non-terminal mannoses with a xylose residue, linked α(1→2).
Last Modified12 January 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC42H68O36
Net Charge0
Average Mass1148.970
Monoisotopic Mass1148.34903
SMILESCC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@@H]4[C@H](O)[C@@H](O)O[C@H](CO)[C@H]4O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C42H68O36/c1-8(46)65-7-14-17(51)22(56)32(76-39-26(60)21(55)23(57)31(75-39)35(62)63)40(71-14)73-29-19(53)13(4-45)70-42(34(29)78-38-25(59)16(50)10(48)6-67-38)74-30-20(54)12(3-44)69-41(33(30)77-37-24(58)15(49)9(47)5-66-37)72-28-18(52)11(2-43)68-36(64)27(28)61/h9-34,36-45,47-61,64H,2-7H2,1H3,(H,62,63)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,36+,37+,38+,39+,40-,41-,42-/m1/s1
InChIKeySAWBTAIPPSZFSQ-CBGITOPBSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GlcpA-(1→2)-α-D-Manp6Ac-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-[β-D-Xylp-(1→2)]-α-D-Manp-(1→3)-α-D-Manp (CHEBI:62144) is a heptasaccharide derivative (CHEBI:63568)
IUPAC Name 
β-D-glucopyranuronosyl-(1→2)-6-O-acetyl-α-D-mannopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→2)]-α-D-mannopyranosyl-(1→3)-[β-D-xylopyranosyl-(1→2)]-α-D-mannopyranosyl-(1→3)-α-D-mannopyranose
Citations