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CHEBI:134654 - β-D-GalALys4PEtn-(1→3)-β-D-GlcNAc-(1→6)-α-D-GlcNGly-(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:134654
ChEBI Nameβ-D-GalALys4PEtn-(1→3)-β-D-GlcNAc-(1→6)-α-D-GlcNGly-(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-GalALys4PEtn-(1->3)-beta-D-GlcNAc-(1->6)-alpha-D-GlcNGly-(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 undecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 42 lipopolysaccharide (LPS) core region.
Last Modified28 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC84H142N7O67P
Net Charge0
Average Mass2353.016
Monoisotopic Mass2351.76571
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]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=O)[C@@H](O)[C@H](O)[C@H]5NC(=O)CN)[C@H](O)[C@H]4O)[C@@H]3O)[C@@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChIInChI=1S/C84H142N7O67P/c1-20(97)89-35-62(148-77-51(119)44(112)46(114)66(152-77)69(124)90-22(70(125)126)4-2-3-5-85)40(108)30(15-96)141-72(35)138-18-31-39(107)41(109)34(91-33(103)10-87)73(143-31)150-64-47(115)52(120)78(154-68(64)71(127)128)149-63-53(121)60(32(158-159(134,135)140-7-6-86)19-139-75-49(117)43(111)45(113)56(144-75)24(99)11-92)146-79(54(63)122)151-65-55(123)80(145-58(26(101)13-94)67(65)153-76-50(118)42(110)38(106)29(14-95)142-76)147-61-28(155-84(82(131)132)8-23(98)37(105)57(157-84)25(100)12-93)9-83(133,81(129)130)156-59(61)27(102)17-137-74-48(116)36(104)21(88)16-136-74/h21-32,34-68,72-80,92-96,98-102,104-123,133H,2-19,85-88H2,1H3,(H,89,97)(H,90,124)(H,91,103)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,134,135)/t21-,22-,23+,24-,25+,26-,27+,28+,29+,30+,31+,32-,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+,68-,72+,73+,74+,75-,76-,77+,78-,79+,80+,83+,84+/m0/s1
InChIKeyUATHMGKERVXWAO-CLELMMSASA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-GalALys4PEtn-(1→3)-β-D-GlcNAc-(1→6)-α-D-GlcNGly-(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:134654) 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)]-[6-deoxy-6-(N2-L-lysino)-β-D-galactopyranuronosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→6)-2-deoxy-2-(glycylamino)-α-D-glucopyranosyl-(1→4)-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-ulopyranosonic acid
Synonyms  Source
β-D-GalpALys4PEtn-(1→3)-β-D-GlcpNAc-(1→6)-α-D-GlcpNGly-(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 42 LPS core oligosaccharideChEBI
β-GalALys4PEtn-(1→3)-β-GlcNAc-(1→6)-α-GlcNGly-(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