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CHEBI:77613 - α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp

ChEBI IDCHEBI:77613
ChEBI Nameα-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp
Stars
ASCII Namealpha-D-GlcpNAc-(1->2)-3-PEA-L-alpha-D-Hepp-(1->3)-[beta-D-Glcp-(1->4)]-L-alpha-D-Hepp
DefinitionA branched amino tetrasaccharide and oligosaccharide phosphate comprising an N-acetyl-D-glucosamine residue, a D-glucose residue and two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown.
Last Modified10 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H55N2O26P
Net Charge0
Average Mass890.732
Monoisotopic Mass890.27807
SMILES[H][C@]1([C@@H](O)CO)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](OP(=O)(O)OCCN)[C@@H]1O
InChIInChI=1S/C30H55N2O26P/c1-8(37)32-13-16(42)14(40)11(6-35)51-28(13)57-26-24(58-59(48,49)50-3-2-31)19(45)21(9(38)4-33)54-30(26)55-23-20(46)27(47)53-22(10(39)5-34)25(23)56-29-18(44)17(43)15(41)12(7-36)52-29/h9-30,33-36,38-47H,2-7,31H2,1H3,(H,32,37)(H,48,49)/t9-,10-,11+,12+,13+,14+,15+,16+,17-,18+,19+,20-,21+,22+,23+,24-,25+,26-,27-,28+,29-,30+/m0/s1
InChIKeyWEFNYCPBIHSUBK-YQMUSLMPSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp (CHEBI:77613) is a amino tetrasaccharide (CHEBI:59412)
α-D-GlcpNAc-(1→2)-3-PEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp (CHEBI:77613) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-3-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
α-D-GlcNAc-(1→2)-3-PEA-L-α-D-Hep-(1→3)-[β-D-Glc-(1→4)]-L-α-D-HepChEBI
N-acetyl-α-D-glucosaminyl-(1→2)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptosyl-(1→3)-[β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptoseChEBI
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-(5R)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranosyl-(1→3)-[β-D-glucopyranosyl-(1→4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-α-D-lyxopyranoseIUPAC
Citations