alpha-D-GlcpNAc-(1->4)-beta-D-Manp2NAc3NAcA-(1->3)-beta-L-FucpNAc4NMe-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcpN-(1->4)-[alpha-D-GalpNA-(1->6)]-beta-D-Glcp-(1->4)-{alpha-D-GlcpN-(1->7)-[alpha-D-GlcpA-(1->2)]-D-alpha-D-Hepp-(1->3)}-L-alpha-D-Hepp-(1->5)-alpha-Kdop (CHEBI:177879)

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CHEBI:177879 - α-D-GlcpNAc-(1→4)-β-D-Manp2NAc3NAcA-(1→3)-β-L-FucpNAc4NMe-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcpN-(1→4)-[α-D-GalpNA-(1→6)]-β-D-Glcp-(1→4)-{α-D-GlcpN-(1→7)-[α-D-GlcpA-(1→2)]-D-α-D-Hepp-(1→3)}-L-α-D-Hepp-(1→5)-α-Kdop

ChEBI ID	CHEBI:177879
ChEBI Name	α-D-GlcpNAc-(1→4)-β-D-Manp2NAc3NAcA-(1→3)-β-L-FucpNAc4NMe-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcpN-(1→4)-[α-D-GalpNA-(1→6)]-β-D-Glcp-(1→4)-{α-D-GlcpN-(1→7)-[α-D-GlcpA-(1→2)]-D-α-D-Hepp-(1→3)}-L-α-D-Hepp-(1→5)-α-Kdop
Stars
ASCII Name	alpha-D-GlcpNAc-(1->4)-beta-D-Manp2NAc3NAcA-(1->3)-beta-L-FucpNAc4NMe-(1->6)-[L-alpha-D-Hepp-(1->4)]-alpha-D-GlcpN-(1->4)-[alpha-D-GalpNA-(1->6)]-beta-D-Glcp-(1->4)-{alpha-D-GlcpN-(1->7)-[alpha-D-GlcpA-(1->2)]-D-alpha-D-Hepp-(1->3)}-L-alpha-D-Hepp-(1->5)-alpha-Kdop
Definition	A twelve-residue oligosaccharide derivative that comprises the core oligosaccharide and distal trisaccharide of the oligosaccharide segment of Bordetella pertussis strain 186 lipooligosaccharide.
Last Modified	20 August 2021
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C86H142N8O64
Net Charge	0
Average Mass	2312.074
Monoisotopic Mass	2310.81028
SMILES	[H][C@]1([C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]3N)[C@@H](O[C@H]3O[C@H](CO[C@H]4O[C@@H](C)[C@@H](NC)[C@@H](O[C@@H]5O[C@H](C(=O)O)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H](NC(C)=O)[C@@H]5NC(C)=O)[C@@H]4NC(C)=O)[C@@H](O[C@H]4O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@H](O)[C@H]3N)[C@H](O)[C@H]2O)[C@H](O[C@H]2O[C@]([H])([C@H](O)CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChI	InChI=1S/C86H142N8O64/c1-16-33(90-6)63(150-78-35(92-18(3)101)34(91-17(2)100)64(70(157-78)73(131)132)151-79-36(93-19(4)102)43(114)39(110)27(12-99)141-79)37(94-20(5)103)77(139-16)138-15-28-61(149-81-52(123)44(115)47(118)56(144-81)22(105)8-95)42(113)32(89)76(142-28)148-62-29(14-137-75-31(88)41(112)46(117)66(153-75)71(127)128)143-80(54(125)51(62)122)156-69-59(23(106)9-96)147-83(146-58-21(104)7-86(135,85(133)134)158-60(58)24(107)10-97)55(126)65(69)152-84-68(155-82-53(124)45(116)48(119)67(154-82)72(129)130)50(121)49(120)57(145-84)25(108)13-136-74-30(87)40(111)38(109)26(11-98)140-74/h16,21-70,74-84,90,95-99,104-126,135H,7-15,87-89H2,1-6H3,(H,91,100)(H,92,101)(H,93,102)(H,94,103)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t16-,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-,74-,75-,76+,77-,78+,79+,80-,81+,82+,83-,84+,86+/m0/s1
InChIKey	ONADRDGYOUSVCJ-DCXUNJRPSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-GlcpNAc-(1→4)-β-D-Manp2NAc3NAcA-(1→3)-β-L-FucpNAc4NMe-(1→6)-[L-α-D-Hepp-(1→4)]-α-D-GlcpN-(1→4)-[α-D-GalpNA-(1→6)]-β-D-Glcp-(1→4)-{α-D-GlcpN-(1→7)-[α-D-GlcpA-(1→2)]-D-α-D-Hepp-(1→3)}-L-α-D-Hepp-(1→5)-α-Kdop (CHEBI:177879) is a oligosaccharide derivative (CHEBI:63563)

IUPAC Name
2-acetamido-2-deoxy-D-glucopyranosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-α-D-glucopyranosyl-(1→6)-[D-mannopyranosyl-(1→4)]-2-amino-2-deoxy-D-glucopyranosyl-(1→4)-[2-amino-2-deoxy-α-D-galactopyranuronosyl-(1→6)]-D-glucopyranosyl-(1→4)-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→7)-[D-glucopyranuronosyl-(1→2)]-D-glycero-α-D-manno-heptopyranosyl-(1→3)]-L-glycero-D-manno-heptopyranosyl-(1→5)-3-deoxy-β-L-galacto-oct-2-ulopyranosonic acid

IUPAC Name

2-acetamido-2-deoxy-D-glucopyranosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-α-D-glucopyranosyl-(1→6)-[D-mannopyranosyl-(1→4)]-2-amino-2-deoxy-D-glucopyranosyl-(1→4)-[2-amino-2-deoxy-α-D-galactopyranuronosyl-(1→6)]-D-glucopyranosyl-(1→4)-[2-amino-2-deoxy-α-D-glucopyranosyl-(1→7)-[D-glucopyranuronosyl-(1→2)]-D-glycero-α-D-manno-heptopyranosyl-(1→3)]-L-glycero-D-manno-heptopyranosyl-(1→5)-3-deoxy-β-L-galacto-oct-2-ulopyranosonic acid

Synonyms	Source
2-acetamido-2-deoxy-D-glucosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-α-D-glucosyl-(1→6)-[D-mannosyl-(1→4)]-2-amino-2-deoxy-D-glucosyl-(1→4)-[2-amino-2-deoxy-α-D-galacturonosyl-(1→6)]-D-glucosyl-(1→4)-[2-amino-2-deoxy-α-D-glucosyl-(1→7)-[D-glucuronosyl-(1→2)]-D-glycero-α-D-manno-heptosyl-(1→3)]-L-glycero-D-manno-heptosyl-(1→5)-3-deoxy-β-L-galacto-oct-2-ulosonic acid	ChEBI
N-acetyl-D-glucosaminyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl-(1→3)-N-acetyl-4-deoxy-4-(methylamino)-α-D-fucosaminyl-(1→6)-[L-glycero-α-D-manno-heptosyl-(1→4)]-α-D-glucosaminyl-(1→4)-[2-amino-2-deoxy-α-D-galacturonosyl-(1→6)]-β-D-glucosyl-(1→4)-[α-D-glucosaminyl-(1→7)-[α-D-glucuronosyl-(1→2)]-D-glycero-α-D-manno-heptosyl-(1→3)]-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-β-L-galacto-oct-2-ulosonic acid	ChEBI

Synonyms

Source

2-acetamido-2-deoxy-D-glucosyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannuronosyl-(1→3)-2-acetamido-2,4,6-trideoxy-4-(methylamino)-α-D-glucosyl-(1→6)-[D-mannosyl-(1→4)]-2-amino-2-deoxy-D-glucosyl-(1→4)-[2-amino-2-deoxy-α-D-galacturonosyl-(1→6)]-D-glucosyl-(1→4)-[2-amino-2-deoxy-α-D-glucosyl-(1→7)-[D-glucuronosyl-(1→2)]-D-glycero-α-D-manno-heptosyl-(1→3)]-L-glycero-D-manno-heptosyl-(1→5)-3-deoxy-β-L-galacto-oct-2-ulosonic acid

ChEBI

N-acetyl-D-glucosaminyl-(1→4)-2,3-diacetamido-2,3-dideoxy-β-D-mannopyranuronosyl-(1→3)-N-acetyl-4-deoxy-4-(methylamino)-α-D-fucosaminyl-(1→6)-[L-glycero-α-D-manno-heptosyl-(1→4)]-α-D-glucosaminyl-(1→4)-[2-amino-2-deoxy-α-D-galacturonosyl-(1→6)]-β-D-glucosyl-(1→4)-[α-D-glucosaminyl-(1→7)-[α-D-glucuronosyl-(1→2)]-D-glycero-α-D-manno-heptosyl-(1→3)]-L-glycero-α-D-manno-heptosyl-(1→5)-3-deoxy-β-L-galacto-oct-2-ulosonic acid

ChEBI

Citations