beta-D-Gal-(1->4)-(1S)-D-GaloNAc-(1->4,6)-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 (CHEBI:136358)

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CHEBI:136358 - β-D-Gal-(1→4)-(1S)-D-GaloNAc-(1→4,6)-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 ID	CHEBI:136358
ChEBI Name	β-D-Gal-(1→4)-(1S)-D-GaloNAc-(1→4,6)-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 Name	beta-D-Gal-(1->4)-(1S)-D-GaloNAc-(1->4,6)-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
Definition	An oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strains 2, 11, 17, 19 and 107 lipopolysaccharide (LPS) core region.
Last Modified	1 March 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C90H153N4O76P
Net Charge	0
Average Mass	2538.140
Monoisotopic Mass	2536.79680
SMILES	[H][C@]1([C@H](NC(C)=O)[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)CO)OC[C@H]2O[C@H](O[C@@H]3[C@H](O)[C@@H](O[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](O[C@@H]4[C@H](O)[C@@H](O[C@@H]5[C@H](O)[C@@H](O[C@@H]6[C@H](O[C@]7(C(=O)O)C[C@@H](O)[C@@H](O)[C@@]([H])([C@H](O)CO)O7)C[C@](O)(C(=O)O)O[C@]6([H])[C@H](O)CO[C@H]6OC[C@H](N)[C@H](O)[C@H]6O)O[C@]([H])([C@@H](O)CO)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)O[C@]([H])([C@H](CO[C@H]5O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O)OP(=O)(O)OCCN)[C@H]4O)O[C@@H]3C(=O)O)[C@H](N)[C@@H](O)[C@H]2O1
InChI	InChI=1S/C90H153N4O76P/c1-18(103)94-34(40(117)58(21(105)6-95)153-80-51(128)41(118)37(114)29(12-101)149-80)77-146-16-31-65(157-77)39(116)33(93)76(151-31)161-69-55(132)72(164-85-71(48(125)47(124)61(155-85)24(108)9-98)163-82-53(130)44(121)46(123)60(154-82)23(107)8-97)86(166-74(69)75(135)136)160-68-54(131)66(32(170-171(142,143)148-3-2-91)17-147-79-50(127)43(120)45(122)59(152-79)22(106)7-96)158-83(56(68)133)162-70-57(134)84(156-63(26(110)11-100)73(70)165-81-52(129)42(119)38(115)30(13-102)150-81)159-67-28(167-90(88(139)140)4-20(104)36(113)62(169-90)25(109)10-99)5-89(141,87(137)138)168-64(67)27(111)15-145-78-49(126)35(112)19(92)14-144-78/h19-74,76-86,95-102,104-134,141H,2-17,91-93H2,1H3,(H,94,103)(H,135,136)(H,137,138)(H,139,140)(H,142,143)/t19-,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+,68-,69+,70+,71-,72+,73+,74-,76+,77-,78+,79-,80-,81-,82+,83+,84+,85+,86-,89+,90+/m0/s1
InChIKey	FOIVEVGOOOBPCL-WBHGBDOHSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-Gal-(1→4)-(1S)-D-GaloNAc-(1→4,6)-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:136358) 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-galactopyranosyl-(1→4)-(1S)-2-acetamido-2-dehydro-aldehydo-D-galactosyl-(1→4,6)-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

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-galactopyranosyl-(1→4)-(1S)-2-acetamido-2-dehydro-aldehydo-D-galactosyl-(1→4,6)-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
β-D-Galp-(1→4)-(1S)-GaloNAc-(1→4,6)-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-Kdo	IUPAC
P. Penneri 2 LPS core oligosaccharide	ChEBI
P. Penneri 19 LPS core oligosaccharide	ChEBI
P. Penneri 107 LPS core oligosaccharide	ChEBI
β-Gal-(1→4)-(1S)-GaloNAc-(1→4,6)-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-Kdo	ChEBI
P. Penneri 11 LPS core oligosaccharide	ChEBI