alpha-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-alpha-D-GlcN6PEtn-(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:136227)

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CHEBI:136227 - α-D-Gal-(1→3)-β-D-GlcNAc-(1→4)-α-D-GlcN6PEtn-(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:136227
ChEBI Name	α-D-Gal-(1→3)-β-D-GlcNAc-(1→4)-α-D-GlcN6PEtn-(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-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-alpha-D-GlcN6PEtn-(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 strain 25 lipopolysaccharide (LPS) core region.
Last Modified	28 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C92H159N5O79P2
Net Charge	0
Average Mass	2661.188
Monoisotopic Mass	2659.80533
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]6O[C@H](CO)[C@@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6NC(C)=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]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/C92H159N5O79P2/c1-20(106)97-36-69(165-82-53(130)43(120)39(116)30(13-103)155-82)41(118)32(15-105)154-79(36)162-66-33(19-153-177(144,145)151-4-2-93)157-78(35(96)42(66)119)167-71-57(134)74(170-87-73(50(127)49(126)62(160-87)25(110)10-100)169-84-55(132)46(123)48(125)61(159-84)24(109)9-99)88(172-76(71)77(137)138)166-70-56(133)67(34(176-178(146,147)152-5-3-94)18-150-81-52(129)45(122)47(124)60(158-81)23(108)8-98)163-85(58(70)135)168-72-59(136)86(161-64(27(112)12-102)75(72)171-83-54(131)44(121)40(117)31(14-104)156-83)164-68-29(173-92(90(141)142)6-22(107)38(115)63(175-92)26(111)11-101)7-91(143,89(139)140)174-65(68)28(113)17-149-80-51(128)37(114)21(95)16-148-80/h21-76,78-88,98-105,107-136,143H,2-19,93-96H2,1H3,(H,97,106)(H,137,138)(H,139,140)(H,141,142)(H,144,145)(H,146,147)/t21-,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+,75+,76-,78+,79-,80+,81-,82+,83-,84+,85+,86+,87+,88-,91+,92+/m0/s1
InChIKey	AVTWBHQZZIRARS-UYZWDBMLSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-Gal-(1→3)-β-D-GlcNAc-(1→4)-α-D-GlcN6PEtn-(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:136227) 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)]-[α-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-amino-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-2-deoxy-α-D-glucopyranosyl-(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)]-[α-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-amino-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-2-deoxy-α-D-glucopyranosyl-(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
α-D-Galp-(1→3)-β-D-GlcpNAc-(1→4)-α-D-GlcpN6PEtn-(1→4)-[α-LD-Hepp-(1→2)-α-DD-Hepp-(1→2)]-α-D-GaplA-(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 25 LPS core oligosaccharide	ChEBI
α-Gal-(1→3)-β-GlcNAc-(1→4)-α-GlcN6PEtn-(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