alpha-L-Fuc3NHb-(1->4)-alpha-D-Gal-(1->6)-beta-D-Glc-(1->3)-alpha-D-GalN6PEtn-(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:136237)

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CHEBI:136237 - α-L-Fuc3NHb-(1→4)-α-D-Gal-(1→6)-β-D-Glc-(1→3)-α-D-GalN6PEtn-(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:136237
ChEBI Name	α-L-Fuc3NHb-(1→4)-α-D-Gal-(1→6)-β-D-Glc-(1→3)-α-D-GalN6PEtn-(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	alpha-L-Fuc3NHb-(1->4)-alpha-D-Gal-(1->6)-beta-D-Glc-(1->3)-alpha-D-GalN6PEtn-(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 decasaccharide derivative, the oligosaccharide portion of the Proteus penneri strains 16 and 18 lipopolysaccharide (LPS) core region.
Last Modified	28 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C100H173N5O84P2
Net Charge	0
Average Mass	2851.383
Monoisotopic Mass	2849.88945
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](COP(=O)(O)OCCN)[C@H](O)[C@H](O[C@@H]6O[C@H](CO[C@H]7O[C@H](CO)[C@H](O[C@@H]8O[C@@H](C)[C@@H](O)[C@@H](NC(=O)C[C@@H](C)O)[C@@H]8O)[C@H](O)[C@H]7O)[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
InChI	InChI=1S/C100H173N5O84P2/c1-22(113)7-38(121)105-40-41(122)23(2)166-89(47(40)128)175-73-34(16-112)168-87(62(143)56(73)137)161-19-35-45(126)49(130)60(141)91(170-35)178-76-39(104)85(169-36(46(76)127)21-165-190(155,156)163-5-3-101)180-78-64(145)81(183-95-80(55(136)54(135)69(173-95)28(117)12-108)182-92-61(142)51(132)53(134)68(172-92)27(116)11-107)96(185-83(78)84(148)149)179-77-63(144)74(37(189-191(157,158)164-6-4-102)20-162-88-58(139)50(131)52(133)67(171-88)26(115)10-106)176-93(65(77)146)181-79-66(147)94(174-71(30(119)14-110)82(79)184-90-59(140)48(129)44(125)33(15-111)167-90)177-75-32(186-100(98(152)153)8-25(114)43(124)70(188-100)29(118)13-109)9-99(154,97(150)151)187-72(75)31(120)18-160-86-57(138)42(123)24(103)17-159-86/h22-37,39-83,85-96,106-120,122-147,154H,3-21,101-104H2,1-2H3,(H,105,121)(H,148,149)(H,150,151)(H,152,153)(H,155,156)(H,157,158)/t22-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33-,34-,35-,36-,37+,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-,75-,76-,77+,78-,79-,80+,81-,82-,83+,85-,86-,87+,88+,89+,90+,91+,92-,93-,94-,95-,96+,99-,100-/m1/s1
InChIKey	LEVDGGQMBLVLIX-UJSBSXNISA-N

ChEBI Ontology

Outgoing Relation(s)
	α-L-Fuc3NHb-(1→4)-α-D-Gal-(1→6)-β-D-Glc-(1→3)-α-D-GalN6PEtn-(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:136237) 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)]-[3,6-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-α-L-galactopyranosyl-(1→4)-α-D-galactopyranosyl-(1→6)-β-D-glucopyranosyl-(1→3)-2-amino-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-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)-[β-D-glucopyranosyl-(1→4)]-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)]-[3,6-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-α-L-galactopyranosyl-(1→4)-α-D-galactopyranosyl-(1→6)-β-D-glucopyranosyl-(1→3)-2-amino-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-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)-[β-D-glucopyranosyl-(1→4)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid

Synonyms	Source
P. Penneri 16 LPS core oligosaccharide	ChEBI
P. Penneri 18 LPS core oligosaccharide	ChEBI
α-L-Fucp3NHb-(1→4)-α-D-Galp-(1→6)-β-D-Glcp-(1→3)-α-D-GalpN6PEtn-(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
α-Fuc3NHb-(1→4)-α-Gal-(1→6)-β-Glc-(1→3)-α-GalN6PEtn-(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

Citations