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CHEBI:234359 - 5-aminopentyl 2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamide

ChEBI IDCHEBI:234359
ChEBI Name5-aminopentyl 2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamide
Stars
ASCII Name5-aminopentyl 2,3-di-acetamido-2,3-di-deoxy-alpha-D-galacturonamidyl-(1->4)-2,3-di-acetamido-2,3-di-deoxy-beta-D-glucuronamidyl-(1->4)-2,3-di-acetamido-2,3-di-deoxy-beta-D-glucuronamidyl-(1->4)-2,3-di-acetamido-2,3-di-deoxy-alpha-D-galacturonamide
Last Modified22 May 2025
SubmitterAdnan
DownloadsMolfile
FormulaC45H73N13O21
Net Charge0
Average Mass1132.149
Monoisotopic Mass1131.50440
SMILESCC(=O)N[C@@H]1[C@@H](NC(C)=O)[C@@H](OCCCCCN)O[C@H](C(N)=O)[C@@H]1O[C@@H]1O[C@H](C(N)=O)[C@@H](O[C@@H]2O[C@H](C(N)=O)[C@@H](O[C@H]3O[C@H](C(N)=O)[C@H](O)[C@H](NC(C)=O)[C@H]3NC(C)=O)[C@H](NC(C)=O)[C@H]2NC(C)=O)[C@H](NC(C)=O)[C@H]1NC(C)=O
InChIInChI=1S/C45H73N13O21/c1-14(59)51-22-26(55-18(5)63)43(76-34(30(22)67)38(47)68)73-32-24(53-16(3)61)28(57-20(7)65)45(78-36(32)40(49)70)75-33-25(54-17(4)62)29(58-21(8)66)44(79-37(33)41(50)71)74-31-23(52-15(2)60)27(56-19(6)64)42(77-35(31)39(48)69)72-13-11-9-10-12-46/h22-37,42-45,67H,9-13,46H2,1-8H3,(H2,47,68)(H2,48,69)(H2,49,70)(H2,50,71)(H,51,59)(H,52,60)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H,58,66)/t22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36+,37+,42+,43+,44-,45-/m1/s1
InChIKeyVMCNJKYWDWWUIF-MCQAFILQSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
5-aminopentyl 2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamide (CHEBI:234359) has role epitope (CHEBI:53000)
5-aminopentyl 2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamide (CHEBI:234359) is a acetamides (CHEBI:22160)
5-aminopentyl 2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-β-D-glucuronamidyl-(1→4)-2,3-di-acetamido-2,3-di-deoxy-α-D-galacturonamide (CHEBI:234359) is a amino tetrasaccharide (CHEBI:59412)
IUPAC Name 
(2S,3R,4R,5R,6S)-4,5-diacetamido-6-[(5-aminopentyl)oxy]-3-{[(2R,3R,4R,5S,6S)-3,4-diacetamido-6-carbamoyl-5-{[(2R,3R,4R,5S,6S)-3,4-diacetamido-6-carbamoyl-5-{[(2S,3R,4R,5R,6S)-3,4-diacetamido-6-carbamoyl-5-hydroxytetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-carboxamide (non-preferred name)
Citations