alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc,OCH2CH2NH2 (CHEBI:78941)

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CHEBI:78941 - α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc-(1→2)-α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH₂CH₂NH₂

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ChEBI ID	CHEBI:78941
ChEBI Name	α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc-(1→2)-α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH₂CH₂NH₂
Stars
ASCII Name	alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc-(1->2)-alpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc,OCH2CH2NH2
Definition	The 2-aminoethyl glycoside of an amino decasaccharide made of two α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc repeating units of the Shigella flexneri serotype 2a specific polysaccharide linked (1→2).
Last Modified	23 June 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C66H113N3O45
Net Charge	0
Average Mass	1668.606
Monoisotopic Mass	1667.66461
SMILES	CC(=O)N[C@H]1[C@H](OCCN)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](C)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@H]1O
InChI	InChI=1S/C66H113N3O45/c1-15-29(76)37(84)43(90)59(96-15)113-55-41(88)31(78)16(2)97-64(55)110-52-47(94)63(101-20(6)48(52)106-60-44(91)38(85)33(80)23(11-70)104-60)109-51-28(69-22(8)75)58(103-26(14-73)36(51)83)112-54-40(87)30(77)18(4)99-66(54)114-56-42(89)32(79)17(3)98-65(56)111-53-46(93)62(100-19(5)49(53)107-61-45(92)39(86)34(81)24(12-71)105-61)108-50-27(68-21(7)74)57(95-10-9-67)102-25(13-72)35(50)82/h15-20,23-66,70-73,76-94H,9-14,67H2,1-8H3,(H,68,74)(H,69,75)/t15-,16-,17-,18-,19-,20-,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-/m0/s1
InChIKey	XVHDLBGUQNYAFV-KPGSAVMZSA-N

ChEBI Ontology

Outgoing Relation(s)
	α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc-(1→2)-α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH₂CH₂NH₂ (CHEBI:78941) is a glycoside (CHEBI:24400)

IUPAC Name
2-aminoethyl α-L-rhamnopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→4)]-α-L-rhamnopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-L-rhamnopyranosyl-(1→2)-6-deoxy-α-L-rhamnopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→4)]-α-L-rhamnopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranoside

Synonyms	Source
2-aminoethyl 6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-α-L-mannopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-α-L-mannopyranosyl-(1→3)-[α-D-glucopyranosyl-(1→4)]-6-deoxy-α-L-mannopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranoside	IUPAC
α-L-Rha-(1→2)-α-L-Rha-(1→3)-[α-D-Glc-(1→4)]-α-L-Rha-(1→3)-β-D-GlcNAc-(1→2)-α-L-Rha-(1→2)-α-L-Rha-(1→3)-[α-D-Glc-(1→4)]-α-L-Rha-(1→3)-β-D-GlcNAc,OCH₂CH₂NH₂	ChEBI
2-aminoethyl α-L-rhamnosyl-(1→2)-α-L-rhamnosyl-(1→3)-[α-D-glucosyl-(1→4)]-α-L-rhamnosyl-(1→3)-N-acetyl-β-D-glucosaminyl-(1→2)-α-L-rhamnosyl-(1→2)-α-L-rhamnosyl-(1→3)-[α-D-glucosyl-(1→4)]-α-L-rhamnosyl-(1→3)-N-acetyl-β-D-glucosaminide	ChEBI

Registry Numbers	Sources
Reaxys:10147549	Reaxys

Citations