1. (CSDB ID: 130309)

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Brucella abortus
(NCBI TaxID 235, species name lookup)
 
Brucella melitensis
(NCBI TaxID 29459, species name lookup)
 
Escherichia coli O157
(NCBI TaxID 1045010, species name lookup)
 
Escherichia hermannii
(NCBI TaxID 565, species name lookup)
 

Taxonomic group: bacteria / Proteobacteria (Phylum: Proteobacteria)
Associated disease: infection due to Brucella abortus [ICD11: XN7A8 ]; infection due to Brucella melitensis [ICD11: XN7ZW ]; infection due to Escherichia coli [ICD11: XN6P4 ]; infection due to Escherichia hermannii [ICD11: XN6MP ]
 
Journal NLM ID: 0246127
Publisher: American Society for Microbiology
Structure type: polymer chemical repeating unit
Location inside paper: I
Compound class: O-polysaccharide, O-antigen
 
Methods: antigen serology
 
Related record ID(s): 130310, 130311, 130312
NCBI Taxonomy refs (TaxIDs): 235, 29459, 1045010, 565
Reference(s) to other database(s): GTC:G08261YZ, GlycomeDB:9492
Show glycosyltransferases
 

There is only one chemically distinct structure:

SVGMWSMILES3D molIonize

 

*O[C@H]1[C@H](NC(C)=O)[C@@H](C)O[C@H](O[C@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]2O[C@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]2O[C@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]2O[C@@H]2[C@H](O)[C@@H](*)O[C@H](C)[C@H]2NC(C)=O)[C@H]1O

935.975 g/mol (C₄₀H₆₅R₂N₅O₂₀, R = next and previous repeats, not counted in mol weight)

Convert structure to SMILES & 3D GlycoCT β-test WURCS 2.0 GLYCAM GlycoCT (external) GlycoCT XML (ext) GlydeII XML LinUCS Fragmentize Mol. weight

Simulate NMR spectra (GODDESS)

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2. (CSDB ID: 130310)

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Brucella abortus
(NCBI TaxID 235, species name lookup)
 
Brucella melitensis
(NCBI TaxID 29459, species name lookup)
 
Escherichia coli O157
(NCBI TaxID 1045010, species name lookup)
 
Escherichia hermannii
(NCBI TaxID 565, species name lookup)
 

Taxonomic group: bacteria / Proteobacteria (Phylum: Proteobacteria)
Associated disease: infection due to Brucella abortus [ICD11: XN7A8 ]; infection due to Brucella melitensis [ICD11: XN7ZW ]; infection due to Escherichia coli [ICD11: XN6P4 ]; infection due to Escherichia hermannii [ICD11: XN6MP ]
 
Journal NLM ID: 0246127
Publisher: American Society for Microbiology
Structure type: polymer chemical repeating unit
Location inside paper: II
Compound class: O-polysaccharide, O-antigen
 
Methods: antigen serology
 
Related record ID(s): 130309, 130311, 130312
NCBI Taxonomy refs (TaxIDs): 235, 29459, 1045010, 565
Reference(s) to other database(s): GTC:G01939XM, GlycomeDB:9493
Show glycosyltransferases
 

There is only one chemically distinct structure:

SVGMWSMILES3D molIonize

 

*O[C@H]1[C@H](NC(C)=O)[C@@H](C)O[C@H](O[C@H]2[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]2O[C@H]2[C@@H](O)[C@H](NC(C)=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](NC(C)=O)[C@@H](C)O[C@@H]3*)O[C@H](C)[C@H]2NC(C)=O)[C@H]1O

935.975 g/mol (C₄₀H₆₅R₂N₅O₂₀, R = next and previous repeats, not counted in mol weight)

Convert structure to SMILES & 3D GlycoCT β-test WURCS 2.0 GLYCAM GlycoCT (external) GlycoCT XML (ext) GlydeII XML LinUCS Fragmentize Mol. weight

Simulate NMR spectra (GODDESS)

Show Sweet-II 3D model Generate 3D coords by GLYCAM

3. (CSDB ID: 130311)

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Brucella abortus
(NCBI TaxID 235, species name lookup)
 
Brucella melitensis
(NCBI TaxID 29459, species name lookup)
 
Escherichia coli O157
(NCBI TaxID 1045010, species name lookup)
 
Escherichia hermannii
(NCBI TaxID 565, species name lookup)
 

Taxonomic group: bacteria / Proteobacteria (Phylum: Proteobacteria)
Associated disease: infection due to Brucella abortus [ICD11: XN7A8 ]; infection due to Brucella melitensis [ICD11: XN7ZW ]; infection due to Escherichia coli [ICD11: XN6P4 ]; infection due to Escherichia hermannii [ICD11: XN6MP ]
 
Journal NLM ID: 0246127
Publisher: American Society for Microbiology
Structure type: polymer chemical repeating unit
Location inside paper: III
Compound class: O-polysaccharide, O-antigen
 
Methods: antigen serology
 
Related record ID(s): 130309, 130310, 130312
NCBI Taxonomy refs (TaxIDs): 235, 29459, 1045010, 565
Reference(s) to other database(s): GTC:G72222RQ, GlycomeDB:9494
Show glycosyltransferases
 

There is only one chemically distinct structure:

SVGMWSMILES3D molIonize

 

*O[C@H]1[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]4*)O[C@H](C)[C@H]3NC(C)=O)O[C@H](C)[C@H]2NC(C)=O)O[C@H](C)[C@H]1NC(C)=O

935.975 g/mol (C₄₀H₆₅R₂N₅O₂₀, R = next and previous repeats, not counted in mol weight)

Convert structure to SMILES & 3D GlycoCT β-test WURCS 2.0 GLYCAM GlycoCT (external) GlycoCT XML (ext) GlydeII XML LinUCS Fragmentize Mol. weight

Simulate NMR spectra (GODDESS)

Show Sweet-II 3D model Generate 3D coords by GLYCAM

4. (CSDB ID: 130312)

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Brucella abortus
(NCBI TaxID 235, species name lookup)
 
Brucella melitensis
(NCBI TaxID 29459, species name lookup)
 
Escherichia coli O157
(NCBI TaxID 1045010, species name lookup)
 
Escherichia hermannii
(NCBI TaxID 565, species name lookup)
 

Taxonomic group: bacteria / Proteobacteria (Phylum: Proteobacteria)
Associated disease: infection due to Brucella abortus [ICD11: XN7A8 ]; infection due to Brucella melitensis [ICD11: XN7ZW ]; infection due to Escherichia coli [ICD11: XN6P4 ]; infection due to Escherichia hermannii [ICD11: XN6MP ]
 
Journal NLM ID: 0246127
Publisher: American Society for Microbiology
Structure type: polymer chemical repeating unit
Location inside paper: IV
Compound class: O-polysaccharide, O-antigen
 
Methods: antigen serology
 
Related record ID(s): 130309, 130310, 130311
NCBI Taxonomy refs (TaxIDs): 235, 29459, 1045010, 565
Reference(s) to other database(s): GTC:G20598GW, GlycomeDB:9495
Show glycosyltransferases
 

There is only one chemically distinct structure:

SVGMWSMILES3D molIonize

 

*O[C@H]1[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3[C@@H](O)[C@H](NC(C)=O)[C@@H](C)O[C@@H]3O[C@@H]3[C@H](O)[C@@H](*)O[C@H](C)[C@H]3NC(C)=O)O[C@H](C)[C@H]2NC(C)=O)O[C@H](C)[C@H]1NC(C)=O

935.975 g/mol (C₄₀H₆₅R₂N₅O₂₀, R = next and previous repeats, not counted in mol weight)

Convert structure to SMILES & 3D GlycoCT β-test WURCS 2.0 GLYCAM GlycoCT (external) GlycoCT XML (ext) GlydeII XML LinUCS Fragmentize Mol. weight

Simulate NMR spectra (GODDESS)

Show Sweet-II 3D model Generate 3D coords by GLYCAM