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Silipo A, Lanzetta R, Garozzo D, Lo CP, Iacobellis NS, Molinaro A, Parrilli M, Evidente A
Structural determination of lipid A of the lipopolysaccharide from Pseudomonas reactans. A pathogen of cultivated mushrooms
European Journal of Biochemistry 269(10) (2002)
2498-2505
|
/Variants 1/-R-3HOLau-(1-2)-+
|
R-3HODco-(1-3)-+ |
| |
/Variants 0/-R-3HOLau-(1-2)-b-D-GlcpN-(1-6)-a-D-GlcpN-(1-P
| |
?%P-4)-+ |
|
R-3HODco-(1-3)-+
/Variants 0/ is:
Lau-(1-3)-
OR (exclusively)
S-2HOLau-(1-3)-
/Variants 1/ is:
Lau-(1-3)-
OR (exclusively)
S-2HOLau-(1-3)- |
Show graphically |
Pseudomonas reactans NCPPB1311
(Ancestor NCBI TaxID 117680,
species name lookup)
Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
The structure was elucidated in this paperNCBI PubMed ID: 12027888Publication DOI: 10.1046/j.1432-1033.2002.02914.xJournal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Correspondence: molinaro
unina.it
Institutions: Dipartimento di Chimica Organica e Biochimica, Universita degli Studi di Napoli Federico II, Napoli, Italy, Istituto per la Chimica e la Tecnologia dei Materiali Polimerici, Catania, Italy, Dipartimento di Biologia, Difesa e Biotecnologie Agro Forestali, Università degli Studi della Basilicata, Potenza, Italy, Dipartimento di Scienze Chimico-Agrarie, Università di Napoli Federico II, Napoli, Italy
The chemical structure of lipid A from the lipopolysaccharide of the mushroom-associated bacterium Pseudomonas reactans, a pathogen of cultivated mushroom, was elucidated by compositional analysis and spectroscopic methods (MALDI-TOF and two-dimensional NMR). The sugar backbone was composed of the β-(1'→6)-linked d-glucosamine disaccharide 1-phosphate. The lipid A fraction showed remarkable heterogeneity with respect to the fatty acid and phosphate composition. The major species are hexacylated and pentacylated lipid A, bearing the (R)-3-hydroxydodecanoic acid [C12:0 (3OH)] in amide linkage and a (R)-3-hydroxydecanoic [C10:0 (3OH)] in ester linkage while the secondary fatty acids are present as C12:0 and/or C12:0 (2-OH). A nonstoichiometric phosphate substitution at position C-4' of the distal 2-deoxy-2-amino-glucose was detected. Interestingly, the pentacyl lipid A is lacking a primary fatty acid, namely the C10:0 (3-OH) at position C-3'. The potential biological meaning of this peculiar lipid A is also discussed.
NMR, lipid A, MALDI-TOF, cultivated mushrooms, Pseudomonas reactans
Structure type: oligomer
Location inside paper: p.2503, scheme 1
Compound class: lipid A
Contained glycoepitopes: IEDB_135394,IEDB_135515,IEDB_141807,IEDB_151531,IEDB_534864
Methods: 13C NMR, 1H NMR, methylation, GLC-MS, NMR-2D, dephosphorylation, acid hydrolysis, GLC, GC, MALDI-TOF MS, de-O-acylation with hydrazine, composition analysis, mild de-O-acylation
Comments, role: the major species of the bis-phoshorylated lipid A
Related record ID(s): 31299, 31300
NCBI Taxonomy refs (TaxIDs): 117680
Show glycosyltransferases
NMR conditions: in DMSO-d6 at 333 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12
0,2 lR3HOLau ? 39.1 69.7 32.8 29.0 29.0 29.0 29.0 29.0 29.0 29.0 13.0
0,3 lR3HODco ? 42.0 68.5 36.4 29.0 29.0 29.0 29.0 29.0 13.0
0,6,2 lR3HOLau ? 39.1 69.7 32.8 29.0 29.0 29.0 29.0 29.0 29.0 29.0 13.0
0,6,3 lR3HODco ? 42.0 68.5 36.4 29.0 29.0 29.0 29.0 29.0 13.0
0,6,4 %xXP?
0,6 bDGlcpN 101.0 52.9 73.2 69.8 75.6 60.3
0 aDGlcpN 92.5 51.6 73.13 68.3 71.9 66.4
P
0,2,3 lS2HOLau ? 69.4 33.0 29.0 ? ? ? ? ? ? ? ?
0,2,3 lXLau
0,6,2,3 lS2HOLau ? 69.4 33.0 29.0 ? ? ? ? ? ? ? ?
0,6,2,3 lXLau
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12
0,2 lR3HOLau - 2.25-2.35 5.09 1.46 1.27 1.27 1.27 1.27 1.27 1.27 1.27 0.85
0,3 lR3HODco - 2.30 3.81 1.31 1.27 1.27 1.27 1.27 1.27 0.85
0,6,2 lR3HOLau - 2.25-2.35 5.09 1.46 1.27 1.27 1.27 1.27 1.27 1.27 1.27 0.85
0,6,3 lR3HODco - 2.30 3.81 1.31 1.27 1.27 1.27 1.27 1.27 0.85
0,6,4 %xXP?
0,6 bDGlcpN 4.57 3.68 4.97 4.05 3.29 3.59-3.70
0 aDGlcpN 5.29 3.91 5.01 3.54 3.89 3.69-3.82
P
0,2,3 lS2HOLau - 4.04 1.54 1.23 ? ? ? ? ? ? ? ?
0,2,3 lXLau
0,6,2,3 lS2HOLau - 4.04 1.54 1.23 ? ? ? ? ? ? ? ?
0,6,2,3 lXLau
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9 C10/H10 C11/H11 C12/H12
0,2 lR3HOLau 39.1/2.25-2.35 69.7/5.09 32.8/1.46 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 13.0/0.85
0,3 lR3HODco 42.0/2.30 68.5/3.81 36.4/1.31 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 13.0/0.85
0,6,2 lR3HOLau 39.1/2.25-2.35 69.7/5.09 32.8/1.46 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 13.0/0.85
0,6,3 lR3HODco 42.0/2.30 68.5/3.81 36.4/1.31 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 29.0/1.27 13.0/0.85
0,6,4 %xXP?
0,6 bDGlcpN 101.0/4.57 52.9/3.68 73.2/4.97 69.8/4.05 75.6/3.29 60.3/3.59-3.70
0 aDGlcpN 92.5/5.29 51.6/3.91 73.13/5.01 68.3/3.54 71.9/3.89 66.4/3.69-3.82
P
0,2,3 lS2HOLau 69.4/4.04 33.0/1.54 29.0/1.23 ?/? ?/? ?/? ?/? ?/? ?/? ?/? ?/?
0,2,3 lXLau
0,6,2,3 lS2HOLau 69.4/4.04 33.0/1.54 29.0/1.23 ?/? ?/? ?/? ?/? ?/? ?/? ?/? ?/?
0,6,2,3 lXLau
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 |
|---|
| 0,2 | lR3HOLau |
| 2.25
2.35 | 5.09 | 1.46 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 0.85 |
| 0,3 | lR3HODco |
| 2.30 | 3.81 | 1.31 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 0.85 | |
| 0,6,2 | lR3HOLau |
| 2.25
2.35 | 5.09 | 1.46 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 0.85 |
| 0,6,3 | lR3HODco |
| 2.30 | 3.81 | 1.31 | 1.27 | 1.27 | 1.27 | 1.27 | 1.27 | 0.85 | |
| 0,6,4 | %xXP? | |
| 0,6 | bDGlcpN | 4.57 | 3.68 | 4.97 | 4.05 | 3.29 | 3.59
3.70 | |
| 0 | aDGlcpN | 5.29 | 3.91 | 5.01 | 3.54 | 3.89 | 3.69
3.82 | |
| | P | |
| 0,2,3 | lS2HOLau |
| 4.04 | 1.54 | 1.23 | ? | ? | ? | ? | ? | ? | ? | ? |
| 0,2,3 | lXLau | |
| 0,6,2,3 | lS2HOLau |
| 4.04 | 1.54 | 1.23 | ? | ? | ? | ? | ? | ? | ? | ? |
| 0,6,2,3 | lXLau | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 | C10 | C11 | C12 |
|---|
| 0,2 | lR3HOLau | ? | 39.1 | 69.7 | 32.8 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 13.0 |
| 0,3 | lR3HODco | ? | 42.0 | 68.5 | 36.4 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 13.0 | |
| 0,6,2 | lR3HOLau | ? | 39.1 | 69.7 | 32.8 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 13.0 |
| 0,6,3 | lR3HODco | ? | 42.0 | 68.5 | 36.4 | 29.0 | 29.0 | 29.0 | 29.0 | 29.0 | 13.0 | |
| 0,6,4 | %xXP? | |
| 0,6 | bDGlcpN | 101.0 | 52.9 | 73.2 | 69.8 | 75.6 | 60.3 | |
| 0 | aDGlcpN | 92.5 | 51.6 | 73.13 | 68.3 | 71.9 | 66.4 | |
| | P | |
| 0,2,3 | lS2HOLau | ? | 69.4 | 33.0 | 29.0 | ? | ? | ? | ? | ? | ? | ? | ? |
| 0,2,3 | lXLau | |
| 0,6,2,3 | lS2HOLau | ? | 69.4 | 33.0 | 29.0 | ? | ? | ? | ? | ? | ? | ? | ? |
| 0,6,2,3 | lXLau | |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":39.1,"l":"2","c":[0,0,225]},{"s":69.7,"l":"3","c":[0,0,225]},{"s":32.8,"l":"4","c":[0,0,225]},{"s":29,"l":"5","c":[0,0,225]},{"s":29,"l":"6","c":[0,0,225]},{"s":29,"l":"7","c":[0,0,225]},{"s":29,"l":"8","c":[0,0,225]},{"s":29,"l":"9","c":[0,0,225]},{"s":29,"l":"10","c":[0,0,225]},{"s":29,"l":"11","c":[0,0,225]},{"s":13,"l":"12","c":[0,0,225]},{"s":42,"l":"2","c":[230,0,30]},{"s":68.5,"l":"3","c":[230,0,30]},{"s":36.4,"l":"4","c":[230,0,30]},{"s":29,"l":"5","c":[230,0,30]},{"s":29,"l":"6","c":[230,0,30]},{"s":29,"l":"7","c":[230,0,30]},{"s":29,"l":"8","c":[230,0,30]},{"s":29,"l":"9","c":[230,0,30]},{"s":13,"l":"10","c":[230,0,30]},{"s":39.1,"l":"2","c":[0,165,0]},{"s":69.7,"l":"3","c":[0,165,0]},{"s":32.8,"l":"4","c":[0,165,0]},{"s":29,"l":"5","c":[0,165,0]},{"s":29,"l":"6","c":[0,165,0]},{"s":29,"l":"7","c":[0,165,0]},{"s":29,"l":"8","c":[0,165,0]},{"s":29,"l":"9","c":[0,165,0]},{"s":29,"l":"10","c":[0,165,0]},{"s":29,"l":"11","c":[0,165,0]},{"s":13,"l":"12","c":[0,165,0]},{"s":42,"l":"2","c":[120,0,225]},{"s":68.5,"l":"3","c":[120,0,225]},{"s":36.4,"l":"4","c":[120,0,225]},{"s":29,"l":"5","c":[120,0,225]},{"s":29,"l":"6","c":[120,0,225]},{"s":29,"l":"7","c":[120,0,225]},{"s":29,"l":"8","c":[120,0,225]},{"s":29,"l":"9","c":[120,0,225]},{"s":13,"l":"10","c":[120,0,225]},{"s":101,"l":"1","c":[220,0,180]},{"s":52.9,"l":"2","c":[220,0,180]},{"s":73.2,"l":"3","c":[220,0,180]},{"s":69.8,"l":"4","c":[220,0,180]},{"s":75.6,"l":"5","c":[220,0,180]},{"s":60.3,"l":"6","c":[220,0,180]},{"s":92.5,"l":"1","c":[100,160,0]},{"s":51.6,"l":"2","c":[100,160,0]},{"s":73.13,"l":"3","c":[100,160,0]},{"s":68.3,"l":"4","c":[100,160,0]},{"s":71.9,"l":"5","c":[100,160,0]},{"s":66.4,"l":"6","c":[100,160,0]},{"s":69.4,"l":"2","c":[210,210,0]},{"s":33,"l":"3","c":[210,210,0]},{"s":29,"l":"4","c":[210,210,0]},{"s":69.4,"l":"2","c":[90,45,15]},{"s":33,"l":"3","c":[90,45,15]},{"s":29,"l":"4","c":[90,45,15]}])
The spectrum also has 22 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
Expand this record
Collapse this record
Silipo A, Lanzetta R, Garozzo D, Lo CP, Iacobellis NS, Molinaro A, Parrilli M, Evidente A
Structural determination of lipid A of the lipopolysaccharide from Pseudomonas reactans. A pathogen of cultivated mushrooms
European Journal of Biochemistry 269(10) (2002)
2498-2505
|
/Variants 1/-R-3HOLau-(1-2)-+
|
?%P-4)-+ |
| |
/Variants 0/-R-3HOLau-(1-2)-b-D-GlcpN-(1-6)-a-D-GlcpN-(1-P
|
R-3HODco-(1-3)-+
/Variants 0/ is:
Lau-(1-3)-
OR (exclusively)
S-2HOLau-(1-3)-
/Variants 1/ is:
Lau-(1-3)-
OR (exclusively)
S-2HOLau-(1-3)- |
Show graphically |
Pseudomonas reactans NCPPB1311
(Ancestor NCBI TaxID 117680,
species name lookup)
Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
The structure was elucidated in this paperNCBI PubMed ID: 12027888Publication DOI: 10.1046/j.1432-1033.2002.02914.xJournal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Correspondence: molinaro
unina.it
Institutions: Dipartimento di Chimica Organica e Biochimica, Universita degli Studi di Napoli Federico II, Napoli, Italy, Istituto per la Chimica e la Tecnologia dei Materiali Polimerici, Catania, Italy, Dipartimento di Biologia, Difesa e Biotecnologie Agro Forestali, Università degli Studi della Basilicata, Potenza, Italy, Dipartimento di Scienze Chimico-Agrarie, Università di Napoli Federico II, Napoli, Italy
The chemical structure of lipid A from the lipopolysaccharide of the mushroom-associated bacterium Pseudomonas reactans, a pathogen of cultivated mushroom, was elucidated by compositional analysis and spectroscopic methods (MALDI-TOF and two-dimensional NMR). The sugar backbone was composed of the β-(1'→6)-linked d-glucosamine disaccharide 1-phosphate. The lipid A fraction showed remarkable heterogeneity with respect to the fatty acid and phosphate composition. The major species are hexacylated and pentacylated lipid A, bearing the (R)-3-hydroxydodecanoic acid [C12:0 (3OH)] in amide linkage and a (R)-3-hydroxydecanoic [C10:0 (3OH)] in ester linkage while the secondary fatty acids are present as C12:0 and/or C12:0 (2-OH). A nonstoichiometric phosphate substitution at position C-4' of the distal 2-deoxy-2-amino-glucose was detected. Interestingly, the pentacyl lipid A is lacking a primary fatty acid, namely the C10:0 (3-OH) at position C-3'. The potential biological meaning of this peculiar lipid A is also discussed.
NMR, lipid A, MALDI-TOF, cultivated mushrooms, Pseudomonas reactans
Structure type: oligomer
Location inside paper: p.2503, scheme 1
Compound class: lipid A
Contained glycoepitopes: IEDB_135394,IEDB_141807,IEDB_151531,IEDB_534864
Methods: 13C NMR, 1H NMR, methylation, GLC-MS, NMR-2D, dephosphorylation, acid hydrolysis, GLC, GC, MALDI-TOF MS, de-O-acylation with hydrazine, composition analysis, mild de-O-acylation
Comments, role: mild de-O-acylation with ammonium hydroxide; the pentaacyl species of the lipid A
Related record ID(s): 4904, 31300
NCBI Taxonomy refs (TaxIDs): 117680
Show glycosyltransferases
There is only one chemically distinct structure:
Expand this record
Collapse this record
Silipo A, Lanzetta R, Garozzo D, Lo CP, Iacobellis NS, Molinaro A, Parrilli M, Evidente A
Structural determination of lipid A of the lipopolysaccharide from Pseudomonas reactans. A pathogen of cultivated mushrooms
European Journal of Biochemistry 269(10) (2002)
2498-2505
|
R-3HOLau-(1-2)-+
|
?%P-4)-+ |
| |
R-3HOLau-(1-2)-b-D-GlcpN-(1-6)-a-D-GlcpN-(1-P |
Show graphically |
Pseudomonas reactans NCPPB1311
(Ancestor NCBI TaxID 117680,
species name lookup)
Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
The structure was elucidated in this paperNCBI PubMed ID: 12027888Publication DOI: 10.1046/j.1432-1033.2002.02914.xJournal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Correspondence: molinaro
unina.it
Institutions: Dipartimento di Chimica Organica e Biochimica, Universita degli Studi di Napoli Federico II, Napoli, Italy, Istituto per la Chimica e la Tecnologia dei Materiali Polimerici, Catania, Italy, Dipartimento di Biologia, Difesa e Biotecnologie Agro Forestali, Università degli Studi della Basilicata, Potenza, Italy, Dipartimento di Scienze Chimico-Agrarie, Università di Napoli Federico II, Napoli, Italy
The chemical structure of lipid A from the lipopolysaccharide of the mushroom-associated bacterium Pseudomonas reactans, a pathogen of cultivated mushroom, was elucidated by compositional analysis and spectroscopic methods (MALDI-TOF and two-dimensional NMR). The sugar backbone was composed of the β-(1'→6)-linked d-glucosamine disaccharide 1-phosphate. The lipid A fraction showed remarkable heterogeneity with respect to the fatty acid and phosphate composition. The major species are hexacylated and pentacylated lipid A, bearing the (R)-3-hydroxydodecanoic acid [C12:0 (3OH)] in amide linkage and a (R)-3-hydroxydecanoic [C10:0 (3OH)] in ester linkage while the secondary fatty acids are present as C12:0 and/or C12:0 (2-OH). A nonstoichiometric phosphate substitution at position C-4' of the distal 2-deoxy-2-amino-glucose was detected. Interestingly, the pentacyl lipid A is lacking a primary fatty acid, namely the C10:0 (3-OH) at position C-3'. The potential biological meaning of this peculiar lipid A is also discussed.
NMR, lipid A, MALDI-TOF, cultivated mushrooms, Pseudomonas reactans
Structure type: oligomer
Location inside paper: p.2500, table 1
Compound class: lipid A
Contained glycoepitopes: IEDB_135394,IEDB_141807,IEDB_151531
Methods: 13C NMR, 1H NMR, methylation, GLC-MS, NMR-2D, dephosphorylation, acid hydrolysis, GLC, GC, MALDI-TOF MS, de-O-acylation with hydrazine, composition analysis, mild de-O-acylation
Comments, role: de-O-acylation with anhydrous hydrazine
Related record ID(s): 4904, 31299
NCBI Taxonomy refs (TaxIDs): 117680
Show glycosyltransferases
NMR conditions: in DMSO-d6 at 333 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9 C10 C11 C12
0,2 lR3HOLau ? 44.0 67.4 37.0 28.9 28.9 28.9 28.9 28.9 28.9 28.9 13.6
0,6,2 lR3HOLau ? 44.0 67.4 37.0 28.9 28.9 28.9 28.9 28.9 28.9 28.9 13.6
0,6,4 %xXP?
0,6 bDGlcpN 100.2 55.0 72.8 69.8 75.5 61.0
0 aDGlcpN 92.1 54.1 74.0 71.1 71.0 67.3
P
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9 H10 H11 H12
0,2 lR3HOLau - 2.17-2.41 3.79 1.36 1.25 1.25 1.25 1.25 1.25 1.25 1.25 0.86
0,6,2 lR3HOLau - 2.17-2.41 3.79 1.36 1.25 1.25 1.25 1.25 1.25 1.25 1.25 0.86
0,6,4 %xXP?
0,6 bDGlcpN 4.76 3.54 3.75 3.71 3.20 3.61-3.89
0 aDGlcpN 5.27 3.61 3.90 2.94 3.47 3.79-3.85
P
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9 C10/H10 C11/H11 C12/H12
0,2 lR3HOLau 44.0/2.17-2.41 67.4/3.79 37.0/1.36 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 13.6/0.86
0,6,2 lR3HOLau 44.0/2.17-2.41 67.4/3.79 37.0/1.36 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 28.9/1.25 13.6/0.86
0,6,4 %xXP?
0,6 bDGlcpN 100.2/4.76 55.0/3.54 72.8/3.75 69.8/3.71 75.5/3.20 61.0/3.61-3.89
0 aDGlcpN 92.1/5.27 54.1/3.61 74.0/3.90 71.1/2.94 71.0/3.47 67.3/3.79-3.85
P
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 | H10 | H11 | H12 |
|---|
| 0,2 | lR3HOLau |
| 2.17
2.41 | 3.79 | 1.36 | 1.25 | 1.25 | 1.25 | 1.25 | 1.25 | 1.25 | 1.25 | 0.86 |
| 0,6,2 | lR3HOLau |
| 2.17
2.41 | 3.79 | 1.36 | 1.25 | 1.25 | 1.25 | 1.25 | 1.25 | 1.25 | 1.25 | 0.86 |
| 0,6,4 | %xXP? | |
| 0,6 | bDGlcpN | 4.76 | 3.54 | 3.75 | 3.71 | 3.20 | 3.61
3.89 | |
| 0 | aDGlcpN | 5.27 | 3.61 | 3.90 | 2.94 | 3.47 | 3.79
3.85 | |
| | P | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 | C10 | C11 | C12 |
|---|
| 0,2 | lR3HOLau | ? | 44.0 | 67.4 | 37.0 | 28.9 | 28.9 | 28.9 | 28.9 | 28.9 | 28.9 | 28.9 | 13.6 |
| 0,6,2 | lR3HOLau | ? | 44.0 | 67.4 | 37.0 | 28.9 | 28.9 | 28.9 | 28.9 | 28.9 | 28.9 | 28.9 | 13.6 |
| 0,6,4 | %xXP? | |
| 0,6 | bDGlcpN | 100.2 | 55.0 | 72.8 | 69.8 | 75.5 | 61.0 | |
| 0 | aDGlcpN | 92.1 | 54.1 | 74.0 | 71.1 | 71.0 | 67.3 | |
| | P | |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":44,"l":"2","c":[0,0,225]},{"s":67.4,"l":"3","c":[0,0,225]},{"s":37,"l":"4","c":[0,0,225]},{"s":28.9,"l":"5","c":[0,0,225]},{"s":28.9,"l":"6","c":[0,0,225]},{"s":28.9,"l":"7","c":[0,0,225]},{"s":28.9,"l":"8","c":[0,0,225]},{"s":28.9,"l":"9","c":[0,0,225]},{"s":28.9,"l":"10","c":[0,0,225]},{"s":28.9,"l":"11","c":[0,0,225]},{"s":13.6,"l":"12","c":[0,0,225]},{"s":44,"l":"2","c":[230,0,30]},{"s":67.4,"l":"3","c":[230,0,30]},{"s":37,"l":"4","c":[230,0,30]},{"s":28.9,"l":"5","c":[230,0,30]},{"s":28.9,"l":"6","c":[230,0,30]},{"s":28.9,"l":"7","c":[230,0,30]},{"s":28.9,"l":"8","c":[230,0,30]},{"s":28.9,"l":"9","c":[230,0,30]},{"s":28.9,"l":"10","c":[230,0,30]},{"s":28.9,"l":"11","c":[230,0,30]},{"s":13.6,"l":"12","c":[230,0,30]},{"s":100.2,"l":"1","c":[120,0,225]},{"s":55,"l":"2","c":[120,0,225]},{"s":72.8,"l":"3","c":[120,0,225]},{"s":69.8,"l":"4","c":[120,0,225]},{"s":75.5,"l":"5","c":[120,0,225]},{"s":61,"l":"6","c":[120,0,225]},{"s":92.1,"l":"1","c":[0,192,255]},{"s":54.1,"l":"2","c":[0,192,255]},{"s":74,"l":"3","c":[0,192,255]},{"s":71.1,"l":"4","c":[0,192,255]},{"s":71,"l":"5","c":[0,192,255]},{"s":67.3,"l":"6","c":[0,192,255]}])
The spectrum also has 2 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
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