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CHEBI:134694 - α-D-GalN-(1→4)-[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:134694
ChEBI Nameα-D-GalN-(1→4)-[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 Namealpha-D-GalN-(1->4)-[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 decasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 12 lipopolysaccharide (LPS) core region.
Last Modified16 October 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC69H118N3O60P
Net Charge0
Average Mass1980.638
Monoisotopic Mass1979.60121
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]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]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C69H118N3O60P/c70-1-2-115-133(110,111)132-24(13-114-60-37(96)32(91)34(93)44(118-60)16(80)5-73)49-40(99)51(123-65-54(126-62-39(98)33(92)35(94)45(119-62)17(81)6-74)41(100)52(56(128-65)57(103)104)124-58-25(72)30(89)28(87)22(9-77)116-58)42(101)63(121-49)125-53-43(102)64(120-47(19(83)8-76)55(53)127-61-38(97)31(90)29(88)23(10-78)117-61)122-50-21(129-69(67(107)108)3-15(79)27(86)46(131-69)18(82)7-75)4-68(109,66(105)106)130-48(50)20(84)12-113-59-36(95)26(85)14(71)11-112-59/h14-56,58-65,73-102,109H,1-13,70-72H2,(H,103,104)(H,105,106)(H,107,108)(H,110,111)/t14-,15+,16-,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-,58+,59+,60-,61-,62+,63+,64+,65-,68+,69+/m0/s1
InChIKeyDGLMDXWHMFQQMQ-NSXVQASMSA-N
ChEBI Ontology
Outgoing Relation(s)
α-D-GalN-(1→4)-[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:134694) is a oligosaccharide derivative (CHEBI:63563)
IUPAC Name 
4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)-[2-amino-2-deoxy-α-D-galactopyranosyl-(1→4)-[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)-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid
Synonyms  Source
β-D-Glcp-(1→3)-α-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
P. Penneri 12 LPS core oligosaccharideChEBI
α-GalN-(1→4)-[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