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CHEBI:77629 - α-D-GlcpNAc-(1→2)-3,6-diPEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp

ChEBI IDCHEBI:77629
ChEBI Nameα-D-GlcpNAc-(1→2)-3,6-diPEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp
Stars
ASCII Namealpha-D-GlcpNAc-(1->2)-3,6-diPEA-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 and O-6), with linkages as shown.
Last Modified10 March 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC32H61N3O29P2
Net Charge0
Average Mass1013.780
Monoisotopic Mass1013.28660
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](OP(=O)(O)OCCN)[C@@H]1O
InChIInChI=1S/C32H61N3O29P2/c1-10(40)35-15-18(44)16(42)12(7-37)56-30(15)62-28-26(64-66(52,53)55-5-3-34)21(47)24(14(9-39)63-65(50,51)54-4-2-33)59-32(28)60-25-22(48)29(49)58-23(11(41)6-36)27(25)61-31-20(46)19(45)17(43)13(8-38)57-31/h11-32,36-39,41-49H,2-9,33-34H2,1H3,(H,35,40)(H,50,51)(H,52,53)/t11-,12+,13+,14-,15+,16+,17+,18+,19-,20+,21+,22-,23+,24+,25+,26-,27+,28-,29-,30+,31-,32+/m0/s1
InChIKeyHIGOWTPYUCPRDT-AFZTUJGTSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GlcpNAc-(1→2)-3,6-diPEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp (CHEBI:77629) is a amino tetrasaccharide (CHEBI:59412)
α-D-GlcpNAc-(1→2)-3,6-diPEA-L-α-D-Hepp-(1→3)-[β-D-Glcp-(1→4)]-L-α-D-Hepp (CHEBI:77629) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-3,6-di-{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)-(5S)-3-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-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
α-D-GlcNAc-(1→2)-3,6-diPEA-L-α-D-Hep-(1→3)-[β-D-Glc-(1→4)]-L-α-D-HepChEBI
N-acetyl-α-D-glucosaminyl-(1→2)-3,6-di-{O-[(2-aminoethoxy)(hydroxy)phosphoryl]}-L-glycero-α-D-manno-heptosyl-(1→3)-[β-D-glucosyl-(1→4)]-L-glycero-α-D-manno-heptoseChEBI
Citations