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CHEBI:134678 - β-D-Glc-(1→3)-α-D-GalN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[α-LD-Hep-(1→7)]-α-LD-Hep6PEtn-(1→3)-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-Kdo

ChEBI IDCHEBI:134678
ChEBI Nameβ-D-Glc-(1→3)-α-D-GalN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[α-LD-Hep-(1→7)]-α-LD-Hep6PEtn-(1→3)-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-Kdo
Stars
ASCII Namebeta-D-Glc-(1->3)-alpha-D-GalN-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[alpha-LD-Hep-(1->7)]-alpha-LD-Hep6PEtn-(1->3)-[beta-D-Glc-(1->4)]-alpha-LD-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo
DefinitionAn oligosaccharide derivative that is a dodecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 26 lipopolysaccharide (LPS) core region.
Last Modified28 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC82H140N3O71P
Net Charge0
Average Mass2334.946
Monoisotopic Mass2333.71743
SMILES[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](O)(C(=O)O)O[C@]([H])([C@H](O)CO[C@H]3OC[C@H](N)[C@H](O)[C@H]3O)[C@@H]2O[C@H]2O[C@]([H])([C@@H](O)CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O[C@H]3O[C@]([H])([C@H](CO[C@H]4O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)OP(=O)(O)OCCN)[C@@H](O)[C@H](O[C@H]4O[C@H](C(=O)O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5N)[C@H](O)[C@H]4O[C@H]4O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C82H140N3O71P/c83-1-2-135-157(130,131)156-28(15-134-71-44(115)37(108)39(110)52(139-71)18(95)5-86)58-48(119)61(146-78-65(150-77-64(42(113)41(112)54(141-77)20(97)7-88)149-74-47(118)38(109)40(111)53(140-74)19(96)6-87)49(120)62(67(152-78)68(123)124)147-69-29(85)60(34(105)27(12-93)136-69)145-72-45(116)35(106)32(103)25(10-91)137-72)50(121)75(143-58)148-63-51(122)76(142-56(22(99)9-90)66(63)151-73-46(117)36(107)33(104)26(11-92)138-73)144-59-24(153-82(80(127)128)3-17(94)31(102)55(155-82)21(98)8-89)4-81(129,79(125)126)154-57(59)23(100)14-133-70-43(114)30(101)16(84)13-132-70/h16-67,69-78,86-122,129H,1-15,83-85H2,(H,123,124)(H,125,126)(H,127,128)(H,130,131)/t16-,17+,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+,63+,64-,65+,66+,67-,69+,70+,71-,72-,73-,74+,75+,76+,77+,78-,81+,82+/m0/s1
InChIKeyVPHQBSQSQDBJGP-TZTKVKETSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-Glc-(1→3)-α-D-GalN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[α-LD-Hep-(1→7)]-α-LD-Hep6PEtn-(1→3)-[β-D-Glc-(1→4)]-α-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-Kdo (CHEBI:134678) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-[β-D-glucopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)-2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-[L-glycero-α-D-manno-heptopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→2)]-α-D-galactopyranuronosyl-(1→3)-[L-glycero-α-D-manno-heptopyranosyl-(1→7)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-α-D-manno-heptopyranosyl-(1→3)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
P. Penneri 26 LPS core oligosaccharideChEBI
β-D-Glcp-(1→3)-α-D-GalpN-(1→4)-[α-LD-Hepp-(1→2)-α-DD-Hepp-(1→2)]-α-D-GalpA-(1→3)-[α-LD-Hepp-(1→7)]-α-LD-Hepp6PEtn-(1→3)-[β-D-Glcp-(1→4)]-α-LD-Hepp-(1→5)-[α-Kdo-(2→4)][β-L-Arap4N-(1→8)]-α-KdoIUPAC
β-Glc-(1→3)-α-GalN-(1→4)-[α-Hep-(1→2)-α-DD-Hep-(1→2)]-α-GalA-(1→3)-[α-Hep-(1→7)]-α-Hep6PEtn-(1→3)-[β-Glc-(1→4)]-α-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Ara4N-(1→8)]-α-KdoChEBI
Citations