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CHEBI:77628 - α-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-6-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp

ChEBI IDCHEBI:77628
ChEBI Nameα-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-6-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp
Stars
ASCII Namealpha-D-GlcpNAc-(1->2)-[alpha-D-Glcp-(1->3)]-6-PEA-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp
DefinitionA branched amino pentasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, two D-glucose residues and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-6), with linkages as shown.
Last Modified10 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC36H65N2O31P
Net Charge0
Average Mass1052.873
Monoisotopic Mass1052.33089
SMILES[H][C@]1([C@H](CO)OP(=O)(O)OCCN)O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@]([H])([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C36H65N2O31P/c1-9(44)38-15-19(49)16(46)11(5-40)60-33(15)68-31-28(65-34-22(52)20(50)17(47)12(6-41)61-34)24(54)27(14(8-43)69-70(57,58)59-3-2-37)64-36(31)66-29-25(55)32(56)63-26(10(45)4-39)30(29)67-35-23(53)21(51)18(48)13(7-42)62-35/h10-36,39-43,45-56H,2-8,37H2,1H3,(H,38,44)(H,57,58)/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+/m0/s1
InChIKeyUVYZLNYTUPZTNR-ZHCJCBSKSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-6-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp (CHEBI:77628) is a amino pentasaccharide (CHEBI:59268)
α-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-6-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp (CHEBI:77628) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-[α-D-glucopyranosyl-(1→3)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranose
Synonyms  Source
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-[α-D-glucopyranosyl-(1→3)]-(5S)-5-[(1S)-1-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranoseIUPAC
N-acetyl-α-D-glucosaminyl-(1→2)-[α-D-glucosyl-(1→3)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptosyl-(1→3)-[β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptoseChEBI
α-D-Glcp-(1→3)-[α-D-GlcpNAc-(1→2)]-6-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-HeppChEBI
α-D-GlcNAc-(1→2)-[α-D-Glc-(1→3)]-6-PEA-L-α-D-Hep-(1→3)-[β-D-Glc-(1→4)]-L-α-D-HepChEBI
α-D-Glc-(1→3)-[α-D-GlcNAc-(1→2)]-6-PEA-L-α-D-Hep-(1→3)-[β-D-Glc-(1→4)]-L-α-D-HepChEBI
Citations