beta-D-GlcNAc-(1->3)-alpha-D-GlcN-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[beta-D-GalAN-(1->7)-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:134697)

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CHEBI:134697 - β-D-GlcNAc-(1→3)-α-D-GlcN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[β-D-GalAN-(1→7)-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:134697
ChEBI Name	β-D-GlcNAc-(1→3)-α-D-GlcN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[β-D-GalAN-(1→7)-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	beta-D-GlcNAc-(1->3)-alpha-D-GlcN-(1->4)-[alpha-LD-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-D-GalA-(1->3)-[beta-D-GalAN-(1->7)-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 12 lipopolysaccharide (LPS) core region. The 2-amino-2-deoxy-β-D-galacturonic acid (β-D-GalAN) residue may or may not be present.
Last Modified	28 February 2017
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C90H152N5O76P
Net Charge	0
Average Mass	2551.139
Monoisotopic Mass	2549.79205
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]5O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]5N)[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](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[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/C90H152N5O76P/c1-17(103)95-33-40(117)36(113)27(10-100)150-78(33)157-63-29(12-102)152-77(32(94)39(63)116)161-67-54(131)71(165-85-70(48(125)47(124)58(155-85)21(106)7-97)164-82-52(129)43(120)45(122)57(154-82)20(105)6-96)86(167-73(67)75(136)137)160-66-53(130)64(30(171-172(143,144)149-3-2-91)16-148-80-50(127)42(119)46(123)59(153-80)24(109)14-146-76-31(93)38(115)44(121)69(163-76)74(134)135)158-83(55(66)132)162-68-56(133)84(156-61(23(108)9-99)72(68)166-81-51(128)41(118)37(114)28(11-101)151-81)159-65-26(168-90(88(140)141)4-19(104)35(112)60(170-90)22(107)8-98)5-89(142,87(138)139)169-62(65)25(110)15-147-79-49(126)34(111)18(92)13-145-79/h18-73,76-86,96-102,104-133,142H,2-16,91-94H2,1H3,(H,95,103)(H,134,135)(H,136,137)(H,138,139)(H,140,141)(H,143,144)/t18-,19+,20-,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-,76+,77+,78-,79+,80-,81-,82+,83+,84+,85+,86-,89+,90+/m0/s1
InChIKey	LXLACIFFOQTXIZ-NBNXSLGKSA-N

ChEBI Ontology

Outgoing Relation(s)
	β-D-GlcNAc-(1→3)-α-D-GlcN-(1→4)-[α-LD-Hep-(1→2)-α-DD-Hep-(1→2)]-α-D-GalA-(1→3)-[β-D-GalAN-(1→7)-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:134697) is a oligosaccharide derivative (CHEBI:63563)

IUPAC Name
2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-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)-[2-amino-2-deoxy-β-D-galactopyranuronosyl-(1→7)-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-β-D-glucopyranosyl-(1→4)-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)-[2-amino-2-deoxy-β-D-galactopyranuronosyl-(1→7)-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
β-D-GlcpNAc-(1→3)-α-D-GlcpN-(1→4)-[α-LD-Hepp-(1→2)-α-DD-Hepp-(1→2)]-α-D-GalpA-(1→3)-[β-D-GalpAN-(1→7)-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 37 and 44 LPS core oligosaccharide	ChEBI
β-GlcNAc-(1→3)-α-GlcN-(1→4)-[α-Hep-(1→2)-α-DD-Hep-(1→2)]-α-GalA-(1→3)-[β-GalAN-(1→7)-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