Taxonomic group: bacteria / Firmicutes
(Phylum: Firmicutes)
Associated disease: infection due to Streptococcus pneumoniae [ICD11:
XN3PW 
]
The structure was elucidated in this paperNCBI PubMed ID: 2162257Publication DOI: 10.1016/0008-6215(90)84277-2Journal NLM ID: 0043535Publisher: Elsevier
Institutions: Department of Organic Chemistry, Arrhenius Laboratory, University of Stockholm, Sweden.
Application of methylation analysis, specific degradations, and n.m.r. spectroscopy to the capsular polysaccharide elaborated by Streptococcus pneumoniae type 7A indicates a hexasaccharide repeating-unit with the structure (Formula; see text).
Structure type: polymer chemical repeating unit
Location inside paper: p.71, table II
Compound class: CPS
Contained glycoepitopes: IEDB_130648,IEDB_136105,IEDB_136906,IEDB_137340,IEDB_137472,IEDB_137473,IEDB_141794,IEDB_141807,IEDB_142488,IEDB_146664,IEDB_151528,IEDB_151531,IEDB_190606,IEDB_225177,IEDB_885823,IEDB_983931,SB_192,SB_7
Methods: 13C NMR, 1H NMR, GLC-MS, partial acid hydrolysis, Smith degradation, de-O-acetylation, methylation (Hakomori method)
Comments, role: O-deacetylated CPS
Related record ID(s): 2625, 2626, 2627, 2628, 115860
NCBI Taxonomy refs (TaxIDs): 1313Reference(s) to other database(s): GTC:G05191GG, GlycomeDB:
16860
Show glycosyltransferases
NMR conditions: in D2O at 343 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,3 aDGalp 97.0 ? ? ? ? ?
3,4 bLRhap 101.4 ? ? ? ? ?
3 bDGlcp 105.6 ? ? ? ? ?
2 Ac
4,2,2 Ac
4,2 aDGlcpN 94.8 54.4 ? ? ? ?
4 aLRhap 99.3 ? ? ? ? ?
bDGalpN 102.2 52.5 ? ? ? ?
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,3 aDGalp 5.10 3.86 3.93 4.00 4.01 3.71-4.29
3,4 bLRhap 4.85 4.26 3.64 3.47 ? 1.35-1.36
3 bDGlcp 4.43 3.42 3.59 ? ? ?
2 Ac - 2.02-2.05
4,2,2 Ac - 2.02-2.05
4,2 aDGlcpN 5.02 3.94 3.83 3.54 3.94 3.82-3.94
4 aLRhap 5.15 4.22 3.99 3.58 3.82 1.35-1.36
bDGalpN 4.54 3.97 3.90 4.21 ? ?
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,3 aDGalp 97.0/5.10 ?/3.86 ?/3.93 ?/4.00 ?/4.01 ?/3.71-4.29
3,4 bLRhap 101.4/4.85 ?/4.26 ?/3.64 ?/3.47 ?/? ?/1.35-1.36
3 bDGlcp 105.6/4.43 ?/3.42 ?/3.59 ?/? ?/? ?/?
2 Ac NMR TSV error 2: unequal length of 13C and 1H datasets
4,2,2 Ac NMR TSV error 2: unequal length of 13C and 1H datasets
4,2 aDGlcpN 94.8/5.02 54.4/3.94 ?/3.83 ?/3.54 ?/3.94 ?/3.82-3.94
4 aLRhap 99.3/5.15 ?/4.22 ?/3.99 ?/3.58 ?/3.82 ?/1.35-1.36
bDGalpN 102.2/4.54 52.5/3.97 ?/3.90 ?/4.21 ?/? ?/?
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,3 | aDGalp | 5.10 | 3.86 | 3.93 | 4.00 | 4.01 | 3.71
4.29 |
| 3,4 | bLRhap | 4.85 | 4.26 | 3.64 | 3.47 | ? | 1.35
1.36 |
| 3 | bDGlcp | 4.43 | 3.42 | 3.59 | ? | ? | ? |
| 2 | Ac |
| 2.02
2.05 | |
| 4,2,2 | Ac |
| 2.02
2.05 | |
| 4,2 | aDGlcpN | 5.02 | 3.94 | 3.83 | 3.54 | 3.94 | 3.82
3.94 |
| 4 | aLRhap | 5.15 | 4.22 | 3.99 | 3.58 | 3.82 | 1.35
1.36 |
| | bDGalpN | 4.54 | 3.97 | 3.90 | 4.21 | ? | ? |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,3 | aDGalp | 97.0 | ? | ? | ? | ? | ? |
| 3,4 | bLRhap | 101.4 | ? | ? | ? | ? | ? |
| 3 | bDGlcp | 105.6 | ? | ? | ? | ? | ? |
| 2 | Ac | |
| 4,2,2 | Ac | |
| 4,2 | aDGlcpN | 94.8 | 54.4 | ? | ? | ? | ? |
| 4 | aLRhap | 99.3 | ? | ? | ? | ? | ? |
| | bDGalpN | 102.2 | 52.5 | ? | ? | ? | ? |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":97,"l":"1","c":[0,0,225]},{"s":101.4,"l":"1","c":[230,0,30]},{"s":105.6,"l":"1","c":[0,165,0]},{"s":94.8,"l":"1","c":[120,0,225]},{"s":54.4,"l":"2","c":[120,0,225]},{"s":99.3,"l":"1","c":[0,192,255]},{"s":102.2,"l":"1","c":[220,0,180]},{"s":52.5,"l":"2","c":[220,0,180]}])
The spectrum also has 28 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
Found 
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