CHEBI:78946 - 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-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH2CH2NH2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 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-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH2CH2NH2
ChEBI ID CHEBI:78946
ChEBI ASCII Name alpha-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-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) and with the N-acetylglucosamine residue five residues from the reducing end acetylated on O-6.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C68H115N3O46
Net Charge 0
Average Mass 1710.63320
Monoisotopic Mass 1709.67517
InChI InChI=1S/C68H115N3O46/c1-16-31(78)39(86)45(92)61(99-16)116-57-43(90)33(80)17(2)100-66(57)113-54-49(96)65(104-21(6)50(54)109-62-46(93)40(87)35(82)25(12-72)106-62)112-53-30(71-23(8)76)60(108-28(38(53)85)15-98-24(9)77)115-56-42(89)32(79)19(4)102-68(56)117-58-44(91)34(81)18(3)101-67(58)114-55-48(95)64(103-20(5)51(55)110-63-47(94)41(88)36(83)26(13-73)107-63)111-52-29(70-22(7)75)59(97-11-10-69)105-27(14-74)37(52)84/h16-21,25-68,72-74,78-96H,10-15,69H2,1-9H3,(H,70,75)(H,71,76)/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 APBJAYJRWWHTRU-MNBHMCDTSA-N
SMILES C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](COC(C)=O)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
ChEBI Ontology
Outgoing 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-Rhap-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH2CH2NH2 (CHEBI:78946) 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)-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 Sources
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)-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
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)-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
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-Rha-(1→2)-α-L-Rha-(1→3)-[α-D-Glc-(1→4)]-α-L-Rha-(1→3)-β-D-GlcNAc,OCH2CH2NH2 ChEBI
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24836582 PubMed citation Europe PMC
Last Modified
23 June 2014