NP-MRD: Showing NP-Card for 3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione (NP0217209)

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Record Information

Version

2.0

Created at

2022-09-05 17:29:06 UTC

Updated at

2022-09-05 17:29:06 UTC

NP-MRD ID

NP0217209

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione

Description

Monogalactosyl diglyceride belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. 3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione is found in Allium sativum. 3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione was first documented in 2004 (PMID: 15623345). Based on a literature review a significant number of articles have been published on monogalactosyl diglyceride (PMID: 32551438) (PMID: 32486049) (PMID: 29487228) (PMID: 26648950) (PMID: 21216918) (PMID: 19447192).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 42 43  0  0  0  0  0  0  0  0999 V2000
    3.8455   -1.9877   -0.1977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9686   -1.1398    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -1.3012   -0.2040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8175   -0.2158   -0.5565 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4380   -0.2847   -2.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250   -0.2598   -2.7418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4236   -0.0960    0.3427 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1303    0.2411    1.6072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1178    0.9664   -0.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954    0.9084   -0.4223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1086    2.1597    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5300    3.3090   -0.4310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2020   -0.2680   -0.0091 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5456   -0.1630    1.3147 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4011   -1.5171   -0.3028 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1120   -2.6201    0.1669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1312   -1.3854    0.5025 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2865   -2.4933    0.2757 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5464    1.0907   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830    2.1144   -0.8385 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7526    1.1836    0.2630 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962    0.0810    0.9219 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7868    0.2105    1.1509 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4973    0.3391   -0.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800    0.6002   -2.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0647   -1.2391   -2.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4709    0.1638   -3.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915    1.2071    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4918    1.0001   -1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0049    2.2316    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1721    2.1473   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9334    3.7579    0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1226   -0.3069   -0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1388   -0.9143    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2508   -1.6412   -1.3709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0761   -2.7115    1.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4547   -1.5059    1.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5849   -3.2831    0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -0.0578    1.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9702    1.0940    1.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1447   -0.7121    1.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5999    1.2982   -0.2963 H   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0
 11 10  1  0
 10  9  1  0
  9  7  1  0
  7  8  1  1
  7 17  1  0
 17 18  1  0
 17 15  1  0
 15 16  1  0
 15 13  1  0
 13 14  1  0
  7  4  1  0
  4  5  1  6
  5  6  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  0
  2 22  1  0
 22 23  1  0
 23 24  1  0
 22 21  1  0
 21 19  1  0
 19 20  2  0
 13 10  1  0
 19  4  1  0
 12 32  1  0
 11 30  1  0
 11 31  1  0
 10 29  1  6
  8 28  1  0
 17 37  1  1
 18 38  1  0
 15 35  1  6
 16 36  1  0
 13 33  1  6
 14 34  1  0
  5 25  1  0
  5 26  1  0
  6 27  1  0
 22 39  1  1
 23 40  1  0
 23 41  1  0
 24 42  1  0
M  END


  Mrv1652309052219292D          

 24 25  0  0  1  0            999 V2000
   -1.2448   -2.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -1.4570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3461   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.5558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2448   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -1.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6131   -1.0445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -2.2820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -2.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1842   -3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8986   -3.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  4  1  1  0  0  0
  7  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  6  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
  7 17  1  0  0  0  0
 17 18  1  1  0  0  0
  4 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0217209

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC[C@H]1O[C@@](O)([C@H](O)[C@@H](O)[C@H]1O)C1(CO)OC(=O)C(CO)OC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C12H18O12/c13-1-4-6(16)7(17)8(18)12(21,23-4)11(3-15)10(20)22-5(2-14)9(19)24-11/h4-8,13-18,21H,1-3H2/t4-,5?,6+,7+,8-,11?,12+/m1/s1

> <INCHI_KEY>
KBQXKJGFQODGHT-LAOYOORDSA-N

> <FORMULA>
C12H18O12

> <MOLECULAR_WEIGHT>
354.264

> <EXACT_MASS>
354.07982602

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
42

> <JCHEM_AVERAGE_POLARIZABILITY>
30.350356613539493

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione

> <JCHEM_LOGP>
-4.50233598

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.529519730931277

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.656912582451636

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9813840040560535

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
67.8093

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3,6-bis(hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  O   UNK     0      -2.324  -5.030   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -0.990  -4.260   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -0.990  -2.720   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       0.344  -1.950   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.646  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -2.163  -1.037   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.324  -1.950   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       1.677  -2.720   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       3.011  -1.950   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       1.677  -4.260   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       0.344  -5.030   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.344  -6.570   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       1.677  -7.340   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   22                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    7   19                                             
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4    8    9   17                                             
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11   13                                                  
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13   10   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15    7   18                                                  
CONECT   18   17                                                            
CONECT   19    4   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21    2   23                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₂H₁₈O₁₂

Average Mass

354.2640 Da

Monoisotopic Mass

354.07983 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@](O)([C@H](O)[C@@H](O)[C@H]1O)C1(CO)OC(=O)C(CO)OC1=O

InChI Identifier

InChI=1S/C12H18O12/c13-1-4-6(16)7(17)8(18)12(21,23-4)11(3-15)10(20)22-5(2-14)9(19)24-11/h4-8,13-18,21H,1-3H2/t4-,5?,6+,7+,8-,11?,12+/m1/s1

InChI Key

KBQXKJGFQODGHT-LAOYOORDSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Allium sativum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

C-glycosyl compounds

Alternative Parents

Substituents

C-glycosyl compound
Oxane
Monosaccharide
Dicarboxylic acid or derivatives
Para-dioxane
Secondary alcohol
Lactone
Hemiacetal
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Organic oxide
Hydrocarbon derivative
Primary alcohol
Carbonyl group
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

65328876

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

129628330

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Min B, Salt L, Wilde P, Kosik O, Hassall K, Przewieslik-Allen A, Burridge AJ, Poole M, Snape J, Wingen L, Haslam R, Griffiths S, Shewry PR: Genetic variation in wheat grain quality is associated with differences in the galactolipid content of flour and the gas bubble properties of dough liquor. Food Chem X. 2020 Jun 2;6:100093. doi: 10.1016/j.fochx.2020.100093. eCollection 2020 Jun 30. [PubMed:32551438 ]
-Chen J, Li WQ, Jia YX: The Serine Carboxypeptidase-Like Gene SCPL41 Negatively Regulates Membrane Lipid Metabolism in Arabidopsis thaliana. Plants (Basel). 2020 May 29;9(6):696. doi: 10.3390/plants9060696. [PubMed:32486049 ]
Caspy I, Nelson N: Structure of the plant photosystem I. Biochem Soc Trans. 2018 Apr 17;46(2):285-294. doi: 10.1042/BST20170299. Epub 2018 Feb 27. [PubMed:29487228 ]
Jia Y, Li W: Characterisation of Lipid Changes in Ethylene-Promoted Senescence and Its Retardation by Suppression of Phospholipase Ddelta in Arabidopsis Leaves. Front Plant Sci. 2015 Nov 30;6:1045. doi: 10.3389/fpls.2015.01045. eCollection 2015. [PubMed:26648950 ]
Gontia I, Kavita K, Schmid M, Hartmann A, Jha B: Brachybacterium saurashtrense sp. nov., a halotolerant root-associated bacterium with plant growth-promoting potential. Int J Syst Evol Microbiol. 2011 Dec;61(Pt 12):2799-2804. doi: 10.1099/ijs.0.023176-0. Epub 2011 Jan 7. [PubMed:21216918 ]
Amara S, Lafont D, Fiorentino B, Boullanger P, Carriere F, De Caro A: Continuous measurement of galactolipid hydrolysis by pancreatic lipolytic enzymes using the pH-stat technique and a medium chain monogalactosyl diglyceride as substrate. Biochim Biophys Acta. 2009 Oct;1791(10):983-90. doi: 10.1016/j.bbalip.2009.05.002. Epub 2009 May 15. [PubMed:19447192 ]
Kakitani Y, Harada K, Mizoguchi T, Koyama Y: Isotopic replacement of pigments and a lipid in chlorosomes from Chlorobium limicola: characterization of the resultant chlorosomes. Biochemistry. 2007 Jun 5;46(22):6513-24. doi: 10.1021/bi602586g. Epub 2007 May 12. [PubMed:17497832 ]
Fewou SN, Bussow H, Schaeren-Wiemers N, Vanier MT, Macklin WB, Gieselmann V, Eckhardt M: Reversal of non-hydroxy:alpha-hydroxy galactosylceramide ratio and unstable myelin in transgenic mice overexpressing UDP-galactose:ceramide galactosyltransferase. J Neurochem. 2005 Jul;94(2):469-81. doi: 10.1111/j.1471-4159.2005.03221.x. [PubMed:15998297 ]
Klinger P, Arellano JB, Vacha F, Hala J, Psencik J: Effect of carotenoids and monogalactosyl diglyceride on bacteriochlorophyll c aggregates in aqueous buffer: implications for the self-assembly of chlorosomes. Photochem Photobiol. 2004 Nov-Dec;80(3):572-8. doi: 10.1562/0031-8655(2004)080<0572:EOCAMD>2.0.CO;2. [PubMed:15623345 ]
LOTUS database [Link]

Showing NP-Card for 3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione (NP0217209)

MOL for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

3D MOL for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

3D SDF for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

3D-SDF for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

PDB for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

3D PDB for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

SMILES for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

INCHI for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

Structure for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)

3D Structure for NP0217209 (3,6-bis(hydroxymethyl)-3-[(2s,3r,4s,5r,6r)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]-1,4-dioxane-2,5-dione)