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-Rhap3Ac-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-GlcpNAc,OCH2CH2NH2 (CHEBI:78942)

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CHEBI:78942 - 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-Rhap3Ac-(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:78942
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-Rhap3Ac-(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-Rhap3Ac-(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) and with the rhamnose residue four residues from the reducing end acetylated on O-3.
Last Modified	23 June 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C68H115N3O46
Net Charge	0
Average Mass	1710.643
Monoisotopic Mass	1709.67517
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](OC(C)=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/C68H115N3O46/c1-16-31(79)39(87)44(92)61(98-16)115-56-42(90)32(80)17(2)99-66(56)113-54-48(96)65(103-21(6)49(54)109-62-45(93)40(88)35(83)25(12-72)107-62)112-52-30(71-23(8)77)60(106-28(15-75)38(52)86)117-58-53(104-24(9)78)34(82)19(4)101-68(58)116-57-43(91)33(81)18(3)100-67(57)114-55-47(95)64(102-20(5)50(55)110-63-46(94)41(89)36(84)26(13-73)108-63)111-51-29(70-22(7)76)59(97-11-10-69)105-27(14-74)37(51)85/h16-21,25-68,72-75,79-96H,10-15,69H2,1-9H3,(H,70,76)(H,71,77)/t16-,17-,18-,19-,20-,21-,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-/m0/s1
InChIKey	JJSHRIUFVNGCGO-WNNHSZOQSA-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-Rhap3Ac-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH₂CH₂NH₂ (CHEBI:78942) 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)-3-O-acetyl-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-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)-3-O-acetyl-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	ChEBI
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-Rha3Ac-(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)-3-O-acetyl-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

Citations