alpha-D-Glc-(1->4)-alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcN-(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:134652)

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CHEBI:134652 - α-D-Glc-(1→4)-α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcN-(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:134652
ChEBI Name	α-D-Glc-(1→4)-α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcN-(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-Glc-(1->4)-alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcN-(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 tetradecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 15 lipopolysaccharide (LPS) core region.
Last Modified	28 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C97H165N4O82P
Net Charge	0
Average Mass	2730.307
Monoisotopic Mass	2728.86019
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])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]6O[C@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6NC(C)=O)[C@@H](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/C97H165N4O82P/c1-19(111)101-36-43(126)70(169-86-56(139)44(127)39(122)30(12-108)160-86)32(14-110)162-83(36)175-76-52(135)50(133)65(24(115)8-104)166-91(76)158-17-33-41(124)42(125)35(100)82(163-33)173-74-60(143)78(177-92-77(53(136)51(134)66(167-92)25(116)9-105)176-88-58(141)47(130)49(132)64(165-88)23(114)7-103)93(179-80(74)81(146)147)172-73-59(142)71(34(183-184(153,154)159-3-2-98)18-157-85-55(138)46(129)48(131)63(164-85)22(113)6-102)170-89(61(73)144)174-75-62(145)90(168-68(27(118)11-107)79(75)178-87-57(140)45(128)40(123)31(13-109)161-87)171-72-29(180-97(95(150)151)4-21(112)38(121)67(182-97)26(117)10-106)5-96(152,94(148)149)181-69(72)28(119)16-156-84-54(137)37(120)20(99)15-155-84/h20-80,82-93,102-110,112-145,152H,2-18,98-100H2,1H3,(H,101,111)(H,146,147)(H,148,149)(H,150,151)(H,153,154)/t20-,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+,75+,76-,77-,78+,79+,80-,82+,83+,84+,85-,86+,87-,88+,89+,90+,91-,92+,93-,96+,97+/m0/s1
InChIKey	MIELWGPFKRAEKL-BVOQOWBMSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-Glc-(1→4)-α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcN-(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:134652) 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)-[α-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→6)-2-amino-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)]-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)-[α-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→6)-2-amino-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)]-L-glycero-α-D-manno-heptopyranosyl-(1→5)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid

Synonyms	Source
P. Penneri 15 LPS core oligosaccharide	IUPAC
α-D-Glcp-(1→4)-α-D-GalpNAc-(1→2)-α-DD-Hepp-(1→6)-α-D-GlcpN-(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-Glc-(1→4)-α-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-GlcN-(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-LD-Hep-(1→5)-[α-Kdo-(2→4)][β-L-Ara4N-(1→8)]-α-Kdo	ChEBI

Citations