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Found 2 records.
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1. (CSDB ID: 9772) | report error |
| LIP-(1-3)-+ | a-L-Fuc-(1-3)-+ a-D-Glcp-(1-4)-b-D-Galp-(1-7)-+ EtN-(1--P--?)--+ EtN-(1--P--4)--+ | LIP-(1-2)-+ | | | | | | a-L-Fucp-(1-2)-{{{-b-D-Gal-(1-4)-b-D-GlcpNAc-(1-3)-}}}{{{-b-D-Gal-(1-4)-b-D-GlcpNAc-(1-3)-}}}b-D-Gal-(1-4)-b-D-GlcpNAc-(1-?)-{{{-b-D-Ribp-(1-2)-}}}/n=3-5/-b-D-Ribp-(1-4)-b-D-Galp-(1-3)-a-D-Glcp-(1-7)-D-gro-a-D-manHepp-(1-3)-a-L-Fucp-(1-3)-b-D-GlcpNAc-(1-2)-D-gro-a-D-manHepp-(1-2)-L-gro-a-D-manHepp-(1-3)-L-gro-a-D-manHepp-(1-5)-a-Kdop-(2-6)-b-D-GlcpN-(1-6)-a-D-GlcpN-(1--P--1)--EtN | | LIP-(1-2)-+ LIP-(1-3)-+ | Show graphically |
|
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Helicobacter pylori SS1
(NCBI TaxID 102617,
species name lookup)
]
ua.ptThe structural diversity of the lipopolysaccharides (LPSs) from Helicobacter pylori poses a challenge to establish accurate and strain-specific structure-function relationships in interactions with the host. Here, LPS structural domains from five clinical isolates were obtained and compared with the reference strain 26695. This was achieved combining information from structural analysis (GC-MS and ESI-MSn) with binding data after interrogation of a LPS-derived carbohydrate microarray with sequence-specific proteins. All LPSs expressed Lewisx/y and N-acetyllactosamine determinants. Ribans were also detected in LPSs from all clinical isolates, allowing their distinction from the 26695 LPS. There was evidence for 1,3-d-galactans and blood group H-type 2 sequences in two of the clinical isolates, the latter not yet described for H. pylori LPS. Furthermore, carbohydrate microarray analyses showed a strain-associated LPS recognition by the immune lectins DC-SIGN and galectin-3 and revealed distinctive LPS binding patterns by IgG antibodies in the serum from H. pylori-infected patients.
lipopolysaccharides, mass spectrometry, Helicobacter pylori, carbohydrate microarrays, host immune receptors, human sera
Structure type: oligomerSMILES errors: LIP(1-2)[LIP(1-2)[aLFucp(1-2)/bDGal?(1-4)[aLFuc?(1-3),Ac(1-2)]bDGlcpN(1-3)/n=?//bDGal?(1-4)[Ac(1-2)]bDGlcpN(1-3)/n=?/bDGal?(1-4)[Ac(1-2)]bDGlcpN(1-?)/bDRibp(1-2)/n=3-5/bDRibp(1-4)bDGalp(1-3)aDGlcp(1-7)aXDDmanHepp(1-3)aLFucp(1-3)[Ac(1-2)]bDGlcpN(1-2)[aDGlcp(1-4)bDGalp(1-7)]aXDDmanHepp(1-2)aXLDmanHepp(1-3)[xXEtN(1-P-?)]aXLDmanHepp(1-5)aXKdop(2-6),xXEtN(1-P-4),LIP(1-3)]bDGlcpN(1-6),LIP(1-3)]aDGlcpN(1-P-1)xXEtN: SMILES error: could not calculate brutto descriptors of a molecule from SMILES [1*]N[C@H]1[C@@H](OP(=O)(O)OCCN)O[C@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@@H](O)[C@@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H]([C@H](O)CO[C@@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O[C@H]7O[C@H]([C@H](O)CO[C@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@H](CO)[C@H](O)[C@H](O[C@@H]%14O[C@H](CO)[C@@H](O[C@@H]%15O[C@H](CO)[C@H](O)[C@H](O[C@@H]%16O[C@H](CO)[C@@H](O[C@@H]%17O[C@H](CO)[C@H](O)[C@H](O[C@@H]%18O[C@H](CO)[C@@H](O[C@@H]%19O[C@H](CO)[C@H](O)[C@H](O[C@@H]%20O[C@H](CO)[C@@H](O[C@@H]%21O[C@H](CO)[C@H](O)[C@H](O[C@@H]%22O[C@H](CO)[C@@H](O[C@@H]%23O[C@H](CO)[C@H](O)[C@H](O)[C@H]%23O[C@@H]%23O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%23O)[C@H](O[C@@H]%23O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%23O)[C@H]%22NC(C)=O)[C@H]%21O)[C@H](O[C@@H]%21O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%21O)[C@H]%20NC(C)=O)[C@H]%19O)[C@H](O[C@@H]%19O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%19O)[C@H]%18NC(C)=O)[C@H]%17O)[C@H](O)[C@H]%16NC(C)=O)[C@H]%15O)[C@H](O)[C@H]%14NC(C)=O)[C@H]%13O)[C@H](O)[C@H]%12NC(C)=O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H]6O)[C@H]5NC(C)=O)[C@@H]4OP(=O)(O)OCCN)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)(O)OCCN)[C@H](O[1*])[C@H]2N[1*])[C@@H](O)[C@@H]1O[1*] Invalid SMILES [1*]N[C@H]1[C@@H](OP(=O)(O)OCCN)O[C@H](CO[C@@H]2O[C@H](CO[C@]3(C(=O)O)C[C@@H](O)[C@@H](O[C@H]4O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@H]5O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]5O[C@H]5O[C@H]([C@H](O)CO[C@@H]6O[C@H](CO)[C@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O[C@H]7O[C@H]([C@H](O)CO[C@H]8O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10OC[C@@H](O)[C@@H](O)[C@H]%10O[C@@H]%10O[C@H](CO)[C@@H](O[C@@H]%11O[C@H](CO)[C@H](O)[C@H](O[C@@H]%12O[C@H](CO)[C@@H](O[C@@H]%13O[C@H](CO)[C@H](O)[C@H](O[C@@H]%14O[C@H](CO)[C@@H](O[C@@H]%15O[C@H](CO)[C@H](O)[C@H](O[C@@H]%16O[C@H](CO)[C@@H](O[C@@H]%17O[C@H](CO)[C@H](O)[C@H](O[C@@H]%18O[C@H](CO)[C@@H](O[C@@H]%19O[C@H](CO)[C@H](O)[C@H](O[C@@H] O[C@H](CO)[C@@H](O[C@@H]%21O[C@H](CO)[C@H](O)[C@H](O[C@@H]"O[C@H](CO)[C@@H](O[C@@H]%23O[C@H](CO)[C@H](O)[C@H](O)[C@H]%23O[C@@H]%23O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%23O)[C@H](O[C@@H]%23O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%23O)[C@H]"NC(C)=O)[C@H]%21O)[C@H](O[C@@H]%21O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%21O)[C@H] NC(C)=O)[C@H]%19O)[C@H](O[C@@H]%19O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]%19O)[C@H]%18NC(C)=O)[C@H]%17O)[C@H](O)[C@H]%16NC(C)=O)[C@H]%15O)[C@H](O)[C@H]%14NC(C)=O)[C@H]%13O)[C@H](O)[C@H]%12NC(C)=O)[C@H]%11O)[C@H](O)[C@H]%10NC(C)=O)[C@H](O)[C@H]9O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H]6O)[C@H]5NC(C)=O)[C@@H]4OP(=O)(O)OCCN)[C@@H]([C@H](O)CO)O3)[C@@H](OP(=O)(O)OCCN)[C@H](O[1*])[C@H]2N[1*])[C@@H](O)[C@@H]1O[1*]
|
2. (CSDB ID: 10944) | report error |
| LIP-(1-3)-+ | a-L-Fuc-(1-3)-+ a-D-Glcp-(1-4)-b-D-Galp-(1-7)-+ EtN-(1--P--?)--+ EtN-(1--P--4)--+ | LIP-(1-2)-+ | | | | | | a-L-Fucp-(1-2)-{{{-b-D-Gal-(1-4)-b-D-GlcpNAc-(1-3)-}}}{{{-b-D-Gal-(1-4)-b-D-GlcpNAc-(1-3)-}}}b-D-Gal-(1-4)-a-D-GlcpNAc-(1-2)-{{{-D-gro-a-D-manHepp-(1-3)-}}}/n=4/-{{{-a-D-Glcp-(1-6)-}}}/n=9/-D-gro-a-D-manHepp-(1-3)-a-L-Fucp-(1-3)-b-D-GlcpNAc-(1-2)-D-gro-a-D-manHepp-(1-2)-L-gro-a-D-manHepp-(1-3)-L-gro-a-D-manHepp-(1-5)-a-Kdo-(2-6)-b-D-GlcpN-(1-6)-a-D-GlcpN-(1--P--1)--EtN | | LIP-(1-2)-+ LIP-(1-3)-+ | Show graphically |
|
Show legend Show as text |
Helicobacter pylori 26695
(NCBI TaxID 85962,
species name lookup)
]ua.ptThe structural diversity of the lipopolysaccharides (LPSs) from Helicobacter pylori poses a challenge to establish accurate and strain-specific structure-function relationships in interactions with the host. Here, LPS structural domains from five clinical isolates were obtained and compared with the reference strain 26695. This was achieved combining information from structural analysis (GC-MS and ESI-MSn) with binding data after interrogation of a LPS-derived carbohydrate microarray with sequence-specific proteins. All LPSs expressed Lewisx/y and N-acetyllactosamine determinants. Ribans were also detected in LPSs from all clinical isolates, allowing their distinction from the 26695 LPS. There was evidence for 1,3-d-galactans and blood group H-type 2 sequences in two of the clinical isolates, the latter not yet described for H. pylori LPS. Furthermore, carbohydrate microarray analyses showed a strain-associated LPS recognition by the immune lectins DC-SIGN and galectin-3 and revealed distinctive LPS binding patterns by IgG antibodies in the serum from H. pylori-infected patients.
lipopolysaccharides, mass spectrometry, Helicobacter pylori, carbohydrate microarrays, host immune receptors, human sera
Structure type: oligomerSMILES errors: LIP(1-2)[LIP(1-2)[aLFucp(1-2)/bDGal?(1-4)[aLFuc?(1-3),Ac(1-2)]bDGlcpN(1-3)/n=?//bDGal?(1-4)[Ac(1-2)]bDGlcpN(1-3)/n=?/bDGal?(1-4)[Ac(1-2)]aDGlcpN(1-2)/aXDDmanHepp(1-3)/n=4//aDGlcp(1-6)/n=9/aXDDmanHepp(1-3)aLFucp(1-3)[Ac(1-2)]bDGlcpN(1-2)[aDGlcp(1-4)bDGalp(1-7)]aXDDmanHepp(1-2)aXLDmanHepp(1-3)[xXEtN(1-P-?)]aXLDmanHepp(1-5)aXKdo?(2-6),xXEtN(1-P-4),LIP(1-3)]bDGlcpN(1-6),LIP(1-3)]aDGlcpN(1-P-1)xXEtN: SMILES error: number of atoms (~507) exceeds a structural formula limit (500)
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Execution: 3 sec