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CHEBI:59483 - β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→4)-{α-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-7-PEA-L-α-D-Hepp-(1→3)}-L-α-D-Hepp-(1→5)-α-Kdo

ChEBI IDCHEBI:59483
ChEBI Nameβ-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→4)-{α-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-7-PEA-L-α-D-Hepp-(1→3)}-L-α-D-Hepp-(1→5)-α-Kdo
Stars
ASCII Namebeta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->4)-{alpha-D-GlcpNAc-(1->2)-[alpha-D-Glcp-(1->3)]-7-PEA-L-alpha-D-Hepp-(1->3)}-L-alpha-D-Hepp-(1->5)-alpha-Kdo
DefinitionAn oligosaccharide phosphate that is a branched nonasaccharide corresponding to the core oligosaccharide of N. meningitis L2 type.
Last Modified21 October 2016
Submitterzjosephs
DownloadsMolfile
FormulaC64H110N3O53P
Net Charge0
Average Mass1800.526
Monoisotopic Mass1799.57421
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O[C@H]5O[C@H]([C@@H](O)COP(=O)(O)OCCN)[C@@H](O)[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H](O[C@H]5[C@@H]([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]5O)O[C@@H]4[C@@H](O)CO)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C64H110N3O53P/c1-15(76)66-27-33(86)29(82)21(8-70)104-55(27)119-54-51(116-58-39(92)36(89)31(84)23(10-72)106-58)41(94)44(20(81)14-103-121(100,101)102-4-3-65)110-62(54)117-52-43(96)61(111-45-17(78)5-64(99,63(97)98)120-47(45)19(80)7-69)112-46(18(79)6-68)53(52)118-59-40(93)37(90)49(26(13-75)109-59)114-60-42(95)50(32(85)24(11-73)107-60)115-56-28(67-16(2)77)34(87)48(25(12-74)108-56)113-57-38(91)35(88)30(83)22(9-71)105-57/h17-62,68-75,78-96,99H,3-14,65H2,1-2H3,(H,66,76)(H,67,77)(H,97,98)(H,100,101)/t17-,18+,19-,20+,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-,48-,49-,50+,51+,52-,53-,54+,55-,56+,57+,58-,59+,60+,61+,62-,64-/m1/s1
InChIKeyAYDSPEOVMRHSLP-CKQBTTMUSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Galp-(1→4)-β-D-GlcpNAc-(1→3)-β-D-Galp-(1→4)-β-D-Glcp-(1→4)-{α-D-GlcpNAc-(1→2)-[α-D-Glcp-(1→3)]-7-PEA-L-α-D-Hepp-(1→3)}-L-α-D-Hepp-(1→5)-α-Kdo (CHEBI:59483) is a oligosaccharide phosphate (CHEBI:16916)
IUPAC Name 
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1→2)-[α-D-glucopyranosyl-(1→3)]-7-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptopyranosyl-(1→3)-[β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
β-D-Gal-(1→4)-β-D-GlcNAc-(1→3)-β-D-Gal(1→4)-β-D-Glc(1→4)-[α-D-Glc(1→3)]-7-PEA-L-α-D-Hep-(1→3)-L-α-D-Hep-(1→5)-α-KdoChEBI
Core oligosaccharide N. meningitis L2 typeChEBI
Galβ1-4GlcNAcβ1-3Galβ1-4Glcβ1-4(Glcα1-3)Hep7PEAα1-3Hepα1-5KdoChEBI
Citations