alpha-D-GlcNAc-(1->2)-beta-D-Glc-(1->4)-[beta-D-Glc-(1->3)]-[alpha-D-Glc-(1->2)-beta-D-Glc-(1->6)]-alpha-D-Glc-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-beta-D-GlcN4P-(1->6)-alpha-D-GlcN-1P (CHEBI:62664)

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CHEBI:62664 - α-D-GlcNAc-(1→2)-β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P

ChEBI ID	CHEBI:62664
ChEBI Name	α-D-GlcNAc-(1→2)-β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P
Stars
ASCII Name	alpha-D-GlcNAc-(1->2)-beta-D-Glc-(1->4)-[beta-D-Glc-(1->3)]-[alpha-D-Glc-(1->2)-beta-D-Glc-(1->6)]-alpha-D-Glc-(1->5)-[alpha-D-Kdo-(2->4)]-alpha-D-Kdo-(2->6)-beta-D-GlcN4P-(1->6)-alpha-D-GlcN-1P
Definition	A ten-membered branched glucosamine oligosaccharide made up from five glucose, two Kdo, one N-acetylglucosamine and two glucosamine residues bearing two phospho substituents. Corresponds to a truncated inner core part of Moraxella catarrhalis lipopolysaccharide (LPS).
Last Modified	4 October 2011
Submitter	Steve
Downloads	Molfile

Formula	C66H113N3O59P2
Net Charge	0
Average Mass	1954.540
Monoisotopic Mass	1953.54094
SMILES	[H][C@]1([C@H](O)CO)O[C@@](O[C@@H]2C[C@](OC[C@H]3O[C@@H](OC[C@H]4O[C@H](OP(=O)(O)O)[C@H](N)[C@@H](O)[C@@H]4O)[C@H](N)[C@@H](O)[C@@H]3OP(=O)(O)O)(C(=O)O)O[C@]([H])([C@H](O)CO)[C@@H]2O[C@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)(C(=O)O)C[C@@H](O)[C@H]1O
InChI	InChI=1S/C66H113N3O59P2/c1-14(77)69-29-39(90)31(82)19(6-72)111-57(29)122-54-43(94)35(86)23(10-76)115-62(54)120-51-25(12-109-61-53(42(93)34(85)22(9-75)114-61)123-59-45(96)41(92)33(84)21(8-74)113-59)118-60(46(97)52(51)121-58-44(95)40(91)32(83)20(7-73)112-58)119-50-18(124-66(64(100)101)2-15(78)30(81)47(125-66)16(79)4-70)3-65(63(98)99,126-48(50)17(80)5-71)110-13-26-49(127-129(102,103)104)38(89)28(68)55(117-26)108-11-24-36(87)37(88)27(67)56(116-24)128-130(105,106)107/h15-62,70-76,78-97H,2-13,67-68H2,1H3,(H,69,77)(H,98,99)(H,100,101)(H2,102,103,104)(H2,105,106,107)/t15-,16-,17-,18-,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+,65-,66-/m1/s1
InChIKey	PMKIZDVRRZUMJC-IZYXMCMMSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-D-GlcNAc-(1→2)-β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P (CHEBI:62664) is a glucosamine oligosaccharide (CHEBI:22485)
	α-D-GlcNAc-(1→2)-β-D-Glc-(1→4)-[β-D-Glc-(1→3)]-[α-D-Glc-(1→2)-β-D-Glc-(1→6)]-α-D-Glc-(1→5)-[α-D-Kdo-(2→4)]-α-D-Kdo-(2→6)-β-D-GlcN4P-(1→6)-α-D-GlcN-1P (CHEBI:62664) is a oligosaccharide phosphate (CHEBI:16916)

IUPAC Name
2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)]-[α-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)]-α-D-glucopyranosyl-(1→5)-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-amino-2-deoxy-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-amino-2-deoxy-1-O-phosphono-α-D-glucopyranose

IUPAC Name

2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→3)]-[α-D-glucopyranosyl-(1→2)-β-D-glucopyranosyl-(1→6)]-α-D-glucopyranosyl-(1→5)-[3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→4)]-3-deoxy-α-D-manno-oct-2-ulopyranonosyl-(2→6)-2-amino-2-deoxy-4-O-phosphono-β-D-glucopyranosyl-(1→6)-2-amino-2-deoxy-1-O-phosphono-α-D-glucopyranose

Synonym	Source
α-GlcNAc-(1→2)-β-Glc-(1→4)-[β-Glc-(1→3)]-[α-Glc-(1→2)-β-Glc-(1→6)]-α-Glc-(1→5)-[α-Kdo-(2→4)]-α-Kdo-(2→6)-β-GlcN4P-(1→6)-α-GlcN-1P	ChEBI

Citations