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CHEBI:78945 - α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-Glcp6,NAc2-(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 IDCHEBI:78945
ChEBI Nameα-L-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-Glcp6,NAc2-(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 Namealpha-L-Rhap-(1->2)-alpha-L-Rhap-(1->3)-[alpha-D-Glcp-(1->4)]-alpha-L-Rhap-(1->3)-beta-D-Glcp6,NAc2-(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
DefinitionThe 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 the N-acetylglucosamine residue five residues from the reducing end acetylated on O-3 and O-6 respectively.
Last Modified24 November 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC70H117N3O47
Net Charge0
Average Mass1752.680
Monoisotopic Mass1751.68574
SMILESCC(=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](COC(C)=O)[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
InChIInChI=1S/C70H117N3O47/c1-17-33(81)41(89)46(94)63(101-17)118-58-44(92)34(82)18(2)102-68(58)116-56-50(98)67(106-22(6)51(56)112-64-47(95)42(90)37(85)27(13-74)109-64)115-54-32(73-24(8)78)62(111-30(40(54)88)16-100-25(9)79)120-60-55(107-26(10)80)36(84)20(4)104-70(60)119-59-45(93)35(83)19(3)103-69(59)117-57-49(97)66(105-21(5)52(57)113-65-48(96)43(91)38(86)28(14-75)110-65)114-53-31(72-23(7)77)61(99-12-11-71)108-29(15-76)39(53)87/h17-22,27-70,74-76,81-98H,11-16,71H2,1-10H3,(H,72,77)(H,73,78)/t17-,18-,19-,20-,21-,22-,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-/m0/s1
InChIKeyHNOCXQTWTVVYEK-SQZBZXTQSA-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-Glcp6,NAc2-(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:78945) 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-6-O-acetyl-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-6-O-acetyl-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-glucopyranosideIUPAC
α-L-Rha-(1→2)-α-L-Rha-(1→3)-[α-D-Glc-(1→4)]-α-L-Rha-(1→3)-β-D-Glc6,NAc2-(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,OCH2CH2NH2ChEBI
2-aminoethyl α-L-rhamnosyl-(1→2)-α-L-rhamnosyl-(1→3)-[α-D-glucosyl-(1→4)]-α-L-rhamnosyl-(1→3)-6-O,N-diacetyl-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-glucosaminideChEBI
Citations