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CHEBI:233705 - 3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-2-acetamido-3-O-acetyl-2,6-dideoxy-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside

ChEBI IDCHEBI:233705
ChEBI Name3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-2-acetamido-3-O-acetyl-2,6-dideoxy-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside
Stars
ASCII Name3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-beta-D-glucopyranuronosyl-(1->4)-2-acetamido-3-O-acetyl-2,6-dideoxy-alpha-L-galactopyranosyl-(1->3)-2-acetamido-2,6-dideoxy-alpha-D-glucopyranoside
DefinitionAn amino trisaccharide that consists of 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronic acid, 2-acetamido-3-O-acetyl-2,6-dideoxy-α-L-galactopyranose, and 3-aminopropyl 2-acetamido-2,6-dideoxy-α-D-glucopyranoside residues linked sequentially (1→4) and (1→3). It is a derivative of the trisaccharide repeating unit of Pseudomonas aeruginosa serotype O51 O-antigen that contains an amino propyl linker at the reducing end and and an acetamido group instead of the acetimidamido group.
Last Modified20 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC33H55N5O17
Net Charge0
Average Mass793.821
Monoisotopic Mass793.35930
SMILESCC(=O)N[C@@H]1[C@H](O[C@H]2[C@H](O)[C@@H](C)O[C@H](OCCCN)[C@@H]2NC(C)=O)O[C@@H](C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](NC(=O)C[C@@H](C)O)[C@H]2NC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C33H55N5O17/c1-12(39)11-19(44)38-20-21(35-15(4)40)32(55-29(25(20)46)30(47)48)53-26-14(3)51-33(23(37-17(6)42)28(26)52-18(7)43)54-27-22(36-16(5)41)31(49-10-8-9-34)50-13(2)24(27)45/h12-14,20-29,31-33,39,45-46H,8-11,34H2,1-7H3,(H,35,40)(H,36,41)(H,37,42)(H,38,44)(H,47,48)/t12-,13-,14+,20-,21-,22-,23+,24-,25+,26-,27-,28+,29+,31+,32-,33+/m1/s1
InChIKeyIEHVSGXBBTWLOE-DEULEZNESA-N
ChEBI Ontology
Outgoing Relation(s)
3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-2-acetamido-3-O-acetyl-2,6-dideoxy-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside (CHEBI:233705) is a amino trisaccharide (CHEBI:59266)
IUPAC Name 
3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-2-acetamido-3-O-acetyl-2,6-dideoxy-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside
Citations