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CHEBI:233704 - 3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside

ChEBI IDCHEBI:233704
ChEBI Name3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-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)-3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-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, 3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-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.
Last Modified20 March 2025
SubmitterAdnan
DownloadsMolfile
FormulaC33H56N6O16
Net Charge0
Average Mass792.837
Monoisotopic Mass792.37528
SMILESCC(=N)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/C33H56N6O16/c1-12(40)11-19(44)39-20-21(37-16(5)41)32(55-29(25(20)46)30(47)48)53-26-14(3)51-33(23(36-15(4)35)28(26)52-18(7)43)54-27-22(38-17(6)42)31(49-10-8-9-34)50-13(2)24(27)45/h12-14,20-29,31-33,40,45-46H,8-11,34H2,1-7H3,(H2,35,36)(H,37,41)(H,38,42)(H,39,44)(H,47,48)/t12-,13-,14+,20-,21-,22-,23+,24-,25+,26-,27-,28+,29+,31+,32-,33+/m1/s1
InChIKeyKVBGZEBDWJJMFB-DEULEZNESA-N
ChEBI Ontology
Outgoing Relation(s)
3-aminopropyl 2-acetamido-2,3-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-β-D-glucopyranuronosyl-(1→4)-3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside (CHEBI:233704) 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)-3-O-acetyl-2,6-dideoxy-2-(ethanimidoylamino)-α-L-galactopyranosyl-(1→3)-2-acetamido-2,6-dideoxy-α-D-glucopyranoside
Citations