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

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-Rhap3Ac-(1→2)-α-L-Rhap-(1→3)-[α-D-Glcp-(1→4)]-α-L-Rhap-(1→3)-β-D-GlcpNAc,OCH2CH2NH2
ChEBI ID CHEBI:78945
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-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 the N-acetylglucosamine residue five residues from the reducing end acetylated on O-3 and O-6 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C70H117N3O47
Net Charge 0
Average Mass 1752.673
Monoisotopic Mass 1751.68574
InChI InChI=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
InChIKey HNOCXQTWTVVYEK-SQZBZXTQSA-N
SMILES O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)O[C@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)O)C)O[C@H]3[C@H]([C@@H](O[C@H]([C@@H]3O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)COC(=O)C)O[C@H]6[C@@H](O[C@H]([C@@H]([C@H]6OC(=O)C)O)C)O[C@H]7[C@@H](O[C@H]([C@@H]([C@H]7O)O)C)O[C@H]8[C@H]([C@@H](O[C@H]([C@@H]8O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)O[C@@H]%10[C@H]([C@@H](O[C@@H]([C@H]%10O)CO)OCCN)NC(=O)C)O)NC(=O)C)O
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-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 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)-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 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)-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
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,OCH2CH2NH2 ChEBI
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Last Modified
24 November 2016