alpha-D-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(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:60307)

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CHEBI:60307 - α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcNGly-(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:60307
ChEBI Name	α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcNGly-(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-GalNAc-(1->2)-alpha-DD-Hep-(1->6)-alpha-D-GlcNGly-(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 8 (O67) lipopolysaccharide (LPS) core region.
Last Modified	28 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C93H158N5O78P
Net Charge	0
Average Mass	2625.218
Monoisotopic Mass	2623.82883
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](O)[C@H]6NC(C)=O)[C@@H](O)[C@H](O)[C@H]5NC(=O)CN)[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/C93H158N5O78P/c1-19(107)97-35-42(122)39(119)30(13-105)155-79(35)168-73-51(131)49(129)63(24(111)9-101)160-87(73)153-17-32-41(121)43(123)36(98-34(116)6-95)80(157-32)166-71-58(138)75(170-88-74(52(132)50(130)64(161-88)25(112)10-102)169-84-56(136)46(126)48(128)62(159-84)23(110)8-100)89(172-77(71)78(141)142)165-70-57(137)68(33(176-177(148,149)154-3-2-94)18-152-82-54(134)45(125)47(127)61(158-82)22(109)7-99)163-85(59(70)139)167-72-60(140)86(162-66(27(114)12-104)76(72)171-83-55(135)44(124)40(120)31(14-106)156-83)164-69-29(173-93(91(145)146)4-21(108)38(118)65(175-93)26(113)11-103)5-92(147,90(143)144)174-67(69)28(115)16-151-81-53(133)37(117)20(96)15-150-81/h20-33,35-77,79-89,99-106,108-115,117-140,147H,2-18,94-96H2,1H3,(H,97,107)(H,98,116)(H,141,142)(H,143,144)(H,145,146)(H,148,149)/t20-,21+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32+,33-,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-,79+,80+,81+,82-,83-,84+,85+,86+,87-,88+,89-,92+,93+/m0/s1
InChIKey	VFCZDQUXZIATHC-UOIHODNYSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-D-GlcNGly-(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:60307) is a oligosaccharide derivative (CHEBI:63563)

IUPAC Name
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→6)-2-deoxy-2-(glycylamino)-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)-[4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)]-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid

IUPAC Name

2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-D-glycero-α-D-manno-heptopyranosyl-(1→6)-2-deoxy-2-(glycylamino)-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)-[4-amino-4-deoxy-β-L-arabinopyranosyl-(1→8)]-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranosonic acid

Synonyms	Source
P. Penneri 8 LPS core oligosaccharide	ChEBI
α-D-GalpNAc-(1→2)-α-DD-Hepp-(1→6)-α-D-GlcpNGly-(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-D-Arap4N-(1→8)]-α-Kdo	IUPAC
α-GalNAc-(1→2)-α-DD-Hep-(1→6)-α-GlcNGly-(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