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enzymes (5) Show 5 proteins

Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2008-08-11 15:28:31 UTC

Update Date

2022-09-22 18:34:19 UTC

HMDB ID

HMDB0006790

Secondary Accession Numbers

HMDB0006864
HMDB0006934
HMDB06790
HMDB06864
HMDB06934

Metabolite Identification

Common Name

Galactosylglycerol

Description

Galactosylglycerol is an intermediate in galactose and glycerolipid metabolism (KEGG: C05401). In galactose metabolism, galactosylglycerol is reversibly produced from D-galactose and glycerol by the enzyme alpha-galactosidase [EC:3.2.1.22]. It is also the first to last step in the synthesis of glycerol and is converted from 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol. It is then converted to glycerol via the enzyme beta-galactosidase [EC:3.2.1.23].

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0006790
     RDKit          3D
Galactosylglycerol
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.9029    0.0867    0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765   -1.0939    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910   -0.8877   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.0656   -1.7539 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -0.3814    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363   -0.2062   -0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247    0.2606    0.1773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1088   -0.7136    0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -0.3207    0.7014 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3130   -1.4249    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -2.6358    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    0.9591    0.1619 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1761    0.8512   -0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    1.4115   -0.9802 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0159    0.4982   -2.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.5694   -0.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6187    2.5170    0.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9260   -0.0180    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2270   -1.5010   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -1.8590    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -1.8370   -1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028    0.8142   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638   -1.1778    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3678    0.5694    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308    0.3785    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1752   -0.2939    1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2973   -1.2132    0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139   -1.5730   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949   -3.0770    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680    1.7321    0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7350    0.9253    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    2.3901   -1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    0.1843   -2.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274    1.9387   -1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    3.0620    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  7  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  1
  9 26  1  1
 10 27  1  0
 10 28  1  0
 11 29  1  0
 12 30  1  1
 13 31  1  0
 14 32  1  6
 15 33  1  0
 16 34  1  6
 17 35  1  0
M  END


  Mrv0541 02231220512D          

 17 17  0  0  1  0            999 V2000
   16.5093  -12.0136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.5093  -12.8386    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.2242  -11.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7943  -11.6012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2242  -13.2235    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.7943  -13.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9391  -12.0136    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.9391  -12.8386    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.2242  -14.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6541  -11.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6541  -13.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0794  -12.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5137  -11.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7988  -11.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0839  -11.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3690  -11.1612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0839  -12.3986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  7 10  1  1  0  0  0
  8 11  1  6  0  0  0
  7  8  1  0  0  0  0
  4 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006790

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4?,5-,6+,7+,8-,9-/m1/s1

> <INCHI_KEY>
NHJUPBDCSOGIKX-VGPGGAHRSA-N

> <FORMULA>
C9H18O8

> <MOLECULAR_WEIGHT>
254.2344

> <EXACT_MASS>
254.100167552

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
24.272739571479228

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.80

> <JCHEM_LOGP>
-3.6098496683333328

> <ALOGPS_LOGS>
0.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.08057270985643

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.194840023983808

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9682677554533683

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
52.929399999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.60e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galactosylglycerol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006790
     RDKit          3D
Galactosylglycerol
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.9029    0.0867    0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765   -1.0939    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910   -0.8877   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.0656   -1.7539 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -0.3814    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363   -0.2062   -0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247    0.2606    0.1773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1088   -0.7136    0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -0.3207    0.7014 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3130   -1.4249    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -2.6358    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    0.9591    0.1619 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1761    0.8512   -0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    1.4115   -0.9802 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0159    0.4982   -2.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.5694   -0.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6187    2.5170    0.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9260   -0.0180    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2270   -1.5010   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -1.8590    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -1.8370   -1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028    0.8142   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638   -1.1778    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3678    0.5694    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308    0.3785    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1752   -0.2939    1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2973   -1.2132    0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139   -1.5730   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949   -3.0770    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680    1.7321    0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7350    0.9253    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    2.3901   -1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    0.1843   -2.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274    1.9387   -1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    3.0620    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  7  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  1
  9 26  1  1
 10 27  1  0
 10 28  1  0
 11 29  1  0
 12 30  1  1
 13 31  1  0
 14 32  1  6
 15 33  1  0
 16 34  1  6
 17 35  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      30.817 -22.425   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.817 -23.965   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      32.152 -21.604   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      29.483 -21.656   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      32.152 -24.684   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      29.483 -24.684   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      33.486 -22.425   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      33.486 -23.965   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      32.152 -26.224   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      34.821 -21.604   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      34.821 -24.684   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      28.148 -22.425   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      40.159 -21.604   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      38.824 -20.834   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      37.490 -21.604   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      36.155 -20.834   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      37.490 -23.144   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1   12                                                       
CONECT    5    2    8    9                                                  
CONECT    6    2                                                            
CONECT    7    3   10    8                                                  
CONECT    8    5   11    7                                                  
CONECT    9    5                                                            
CONECT   10    7   16                                                       
CONECT   11    8                                                            
CONECT   12    4                                                            
CONECT   13   14                                                            
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15   10                                                       
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

COMPND    HMDB0006790
HETATM    1  O1  UNL     1       4.903   0.087   0.611  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.476  -1.094   0.020  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.191  -0.888  -0.751  1.00  0.00           C  
HETATM    4  O2  UNL     1       3.401   0.066  -1.754  1.00  0.00           O  
HETATM    5  C3  UNL     1       2.091  -0.381   0.161  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.936  -0.206  -0.598  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.125   0.261   0.177  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.109  -0.714   0.141  1.00  0.00           O  
HETATM    9  C5  UNL     1      -2.305  -0.321   0.701  1.00  0.00           C  
HETATM   10  C6  UNL     1      -3.313  -1.425   0.432  1.00  0.00           C  
HETATM   11  O5  UNL     1      -2.875  -2.636   1.014  1.00  0.00           O  
HETATM   12  C7  UNL     1      -2.850   0.959   0.162  1.00  0.00           C  
HETATM   13  O6  UNL     1      -4.176   0.851  -0.255  1.00  0.00           O  
HETATM   14  C8  UNL     1      -1.966   1.411  -0.980  1.00  0.00           C  
HETATM   15  O7  UNL     1      -2.016   0.498  -2.026  1.00  0.00           O  
HETATM   16  C9  UNL     1      -0.570   1.569  -0.418  1.00  0.00           C  
HETATM   17  O8  UNL     1      -0.619   2.517   0.589  1.00  0.00           O  
HETATM   18  H1  UNL     1       4.926  -0.018   1.591  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.227  -1.501  -0.675  1.00  0.00           H  
HETATM   20  H3  UNL     1       4.278  -1.859   0.819  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.934  -1.837  -1.221  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.903   0.814  -1.382  1.00  0.00           H  
HETATM   23  H6  UNL     1       1.864  -1.178   0.904  1.00  0.00           H  
HETATM   24  H7  UNL     1       2.368   0.569   0.615  1.00  0.00           H  
HETATM   25  H8  UNL     1       0.231   0.378   1.239  1.00  0.00           H  
HETATM   26  H9  UNL     1      -2.175  -0.294   1.817  1.00  0.00           H  
HETATM   27  H10 UNL     1      -4.297  -1.213   0.932  1.00  0.00           H  
HETATM   28  H11 UNL     1      -3.514  -1.573  -0.636  1.00  0.00           H  
HETATM   29  H12 UNL     1      -2.195  -3.077   0.447  1.00  0.00           H  
HETATM   30  H13 UNL     1      -2.768   1.732   0.974  1.00  0.00           H  
HETATM   31  H14 UNL     1      -4.735   0.925   0.574  1.00  0.00           H  
HETATM   32  H15 UNL     1      -2.315   2.390  -1.402  1.00  0.00           H  
HETATM   33  H16 UNL     1      -1.148   0.184  -2.332  1.00  0.00           H  
HETATM   34  H17 UNL     1       0.127   1.939  -1.200  1.00  0.00           H  
HETATM   35  H18 UNL     1       0.214   3.062   0.603  1.00  0.00           H  
CONECT    1    2   18
CONECT    2    3   19   20
CONECT    3    4    5   21
CONECT    4   22
CONECT    5    6   23   24
CONECT    6    7
CONECT    7    8   16   25
CONECT    8    9
CONECT    9   10   12   26
CONECT   10   11   27   28
CONECT   11   29
CONECT   12   13   14   30
CONECT   13   31
CONECT   14   15   16   32
CONECT   15   33
CONECT   16   17   34
CONECT   17   35
END

HMDB0006790
     RDKit          3D
Galactosylglycerol
 35 35  0  0  0  0  0  0  0  0999 V2000
    4.9029    0.0867    0.6110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765   -1.0939    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1910   -0.8877   -0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.0656   -1.7539 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0908   -0.3814    0.1606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9363   -0.2062   -0.5982 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247    0.2606    0.1773 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1088   -0.7136    0.1409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3051   -0.3207    0.7014 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3130   -1.4249    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754   -2.6358    1.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8503    0.9591    0.1619 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1761    0.8512   -0.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9656    1.4115   -0.9802 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0159    0.4982   -2.0257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5698    1.5694   -0.4179 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6187    2.5170    0.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9260   -0.0180    1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2270   -1.5010   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2778   -1.8590    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9345   -1.8370   -1.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028    0.8142   -1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8638   -1.1778    0.9038 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3678    0.5694    0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2308    0.3785    1.2391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1752   -0.2939    1.8166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2973   -1.2132    0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5139   -1.5730   -0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1949   -3.0770    0.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7680    1.7321    0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7350    0.9253    0.5744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150    2.3901   -1.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    0.1843   -2.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1274    1.9387   -1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2138    3.0620    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16  7  1  0
  1 18  1  0
  2 19  1  0
  2 20  1  0
  3 21  1  0
  4 22  1  0
  5 23  1  0
  5 24  1  0
  7 25  1  1
  9 26  1  1
 10 27  1  0
 10 28  1  0
 11 29  1  0
 12 30  1  1
 13 31  1  0
 14 32  1  6
 15 33  1  0
 16 34  1  6
 17 35  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2R,3R,4S,5R,6R)-2-[(2R)-2,3-Dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol	HMDB
3-b-D-Galactosyl-sn-glycerol	HMDB
3-beta-D-Galactosyl-sn-glycerol	HMDB
3-beta-delta-Galactosyl-sn-glycerol	HMDB
Azepan-2-one	HMDB

Chemical Formula

C₉H₁₈O₈

Average Molecular Weight

254.2344

Monoisotopic Molecular Weight

254.100167552

IUPAC Name

(2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

galactosylglycerol

CAS Registry Number

Not Available

SMILES

OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4?,5-,6+,7+,8-,9-/m1/s1

InChI Key

NHJUPBDCSOGIKX-VGPGGAHRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as glycosylglycerols. These are glycerolipids structurally characterized by the presence of one or more sugar residues attached to glycerol via a glycosidic linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Glycosylglycerols

Direct Parent

Glycosylglycerols

Alternative Parents

Substituents

Glycosylglycerol
Glycosyl compound
O-glycosyl compound
Monosaccharide
Oxane
Secondary alcohol
Polyol
Oxacycle
Acetal
Organoheterocyclic compound
Primary alcohol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0006790)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0006790)

Source

Endogenous

Endogenous (HMDB: HMDB0006790)

Animal

Animal (HMDB: HMDB0006790)

Exogenous

Food

Food (HMDB: HMDB0006790)

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Galactose Metabolism (HMDB: HMDB0006790)
Sphingolipid Metabolism (PathBank: SMP0000034)
Sphingolipid Metabolism (PathBank: SMP0002378)

Galactose metabolism (HMDB: HMDB0006790)

Disease pathway

Galactosemia (PathBank: SMP0000182)
Gaucher Disease (PathBank: SMP0000349)
Globoid Cell Leukodystrophy (PathBank: SMP0000348)
Metachromatic Leukodystrophy (MLD) (PathBank: SMP0000347)
Fabry Disease (PathBank: SMP0000525)
Krabbe Disease (PathBank: SMP0000526)

Chemical reaction

Lipid peroxidation (HMDB: HMDB0006790)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0006790)

Role

Biological role

Energy source (HMDB: HMDB0006790)

Physical Properties

State

Solid

Experimental Molecular 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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	360 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-3.6	ChemAxon
logS	0.15	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	139.84 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	52.93 m³·mol⁻¹	ChemAxon
Polarizability	24.27 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	158.521	31661259
DarkChem	[M-H]-	155.872	31661259
DeepCCS	[M+H]+	159.321	30932474
DeepCCS	[M-H]-	156.963	30932474
DeepCCS	[M-2H]-	191.061	30932474
DeepCCS	[M+Na]+	166.445	30932474
AllCCS	[M+H]+	157.1	32859911
AllCCS	[M+H-H2O]+	153.6	32859911
AllCCS	[M+NH4]+	160.3	32859911
AllCCS	[M+Na]+	161.3	32859911
AllCCS	[M-H]-	154.0	32859911
AllCCS	[M+Na-2H]-	154.2	32859911
AllCCS	[M+HCOO]-	154.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Galactosylglycerol	OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3950.4	Standard polar	33892256
Galactosylglycerol	OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2559.4	Standard non polar	33892256
Galactosylglycerol	OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2253.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Galactosylglycerol,1TMS,isomer #1	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2210.0	Semi standard non polar	33892256
Galactosylglycerol,1TMS,isomer #2	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2200.1	Semi standard non polar	33892256
Galactosylglycerol,1TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O)[C@H]1O	2163.3	Semi standard non polar	33892256
Galactosylglycerol,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OCC(O)CO)[C@H](O)[C@H]1O	2147.4	Semi standard non polar	33892256
Galactosylglycerol,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OCC(O)CO)[C@@H]1O	2134.5	Semi standard non polar	33892256
Galactosylglycerol,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCC(O)CO	2134.2	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #1	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2245.0	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2158.8	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2167.9	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2175.3	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](OCC(O)CO)O[C@@H]1CO	2148.2	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OCC(O)CO)[C@H](O)[C@H]1O[Si](C)(C)C	2151.6	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OCC(O)CO)[C@@H]1O[Si](C)(C)C	2154.5	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #2	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2208.3	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #3	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2206.2	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #4	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2198.9	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #5	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2189.4	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2220.7	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #7	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2206.8	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #8	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2199.3	Semi standard non polar	33892256
Galactosylglycerol,2TMS,isomer #9	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2196.1	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #1	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	2159.1	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #10	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2195.6	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2157.6	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2186.5	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2165.1	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #14	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2173.5	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #15	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2185.8	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #16	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2178.3	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2136.6	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #18	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2162.0	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2140.0	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #2	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C	2178.3	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OCC(O)CO)O[C@@H]1CO	2133.4	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #3	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2194.2	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #4	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2168.2	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #5	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	2177.0	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #6	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	2194.5	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #7	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	2165.4	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #8	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2194.6	Semi standard non polar	33892256
Galactosylglycerol,3TMS,isomer #9	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2201.4	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #1	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C	2169.8	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #10	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2194.0	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2180.1	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2209.0	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2170.5	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #14	C[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2185.4	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2154.8	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #2	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2196.7	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #3	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2163.2	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #4	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2185.6	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #5	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2193.3	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #6	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2189.5	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #7	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	2190.3	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #8	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2221.9	Semi standard non polar	33892256
Galactosylglycerol,4TMS,isomer #9	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2191.9	Semi standard non polar	33892256
Galactosylglycerol,5TMS,isomer #1	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)O[Si](C)(C)C	2183.7	Semi standard non polar	33892256
Galactosylglycerol,5TMS,isomer #2	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2232.6	Semi standard non polar	33892256
Galactosylglycerol,5TMS,isomer #3	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2184.7	Semi standard non polar	33892256
Galactosylglycerol,5TMS,isomer #4	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2189.5	Semi standard non polar	33892256
Galactosylglycerol,5TMS,isomer #5	C[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2202.1	Semi standard non polar	33892256
Galactosylglycerol,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2208.6	Semi standard non polar	33892256
Galactosylglycerol,6TMS,isomer #1	C[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)O[Si](C)(C)C	2264.0	Semi standard non polar	33892256
Galactosylglycerol,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2442.4	Semi standard non polar	33892256
Galactosylglycerol,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2447.5	Semi standard non polar	33892256
Galactosylglycerol,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O)[C@H]1O	2396.9	Semi standard non polar	33892256
Galactosylglycerol,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OCC(O)CO)[C@H](O)[C@H]1O	2401.1	Semi standard non polar	33892256
Galactosylglycerol,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OCC(O)CO)[C@@H]1O	2390.3	Semi standard non polar	33892256
Galactosylglycerol,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCC(O)CO	2390.8	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2707.4	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2600.7	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2610.9	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2613.8	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCC(O)CO)O[C@@H]1CO	2615.4	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OCC(O)CO)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2624.5	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OCC(O)CO)[C@@H]1O[Si](C)(C)C(C)(C)C	2627.3	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O	2670.6	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2679.5	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2672.6	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2669.0	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2681.0	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2683.1	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2672.4	Semi standard non polar	33892256
Galactosylglycerol,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2673.1	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2897.8	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2892.2	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2891.1	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2877.9	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2883.7	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2883.0	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2891.7	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2895.0	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2847.4	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2857.7	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	2848.6	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	2912.4	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OCC(O)CO)O[C@@H]1CO	2860.3	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	2905.6	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2915.1	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2893.2	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2895.2	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2894.0	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2887.3	Semi standard non polar	33892256
Galactosylglycerol,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2886.7	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	3089.1	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3071.4	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3073.5	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3092.2	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3062.7	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(CO)CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3073.8	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3074.1	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3088.8	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3105.7	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3083.6	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3100.1	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3101.5	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3066.5	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3092.6	Semi standard non polar	33892256
Galactosylglycerol,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3073.9	Semi standard non polar	33892256
Galactosylglycerol,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	3253.7	Semi standard non polar	33892256
Galactosylglycerol,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3290.6	Semi standard non polar	33892256
Galactosylglycerol,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3261.0	Semi standard non polar	33892256
Galactosylglycerol,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(CO[C@@H]1O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3250.5	Semi standard non polar	33892256
Galactosylglycerol,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)CO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3277.8	Semi standard non polar	33892256
Galactosylglycerol,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCC(CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3276.3	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Galactosylglycerol GC-MS (Non-derivatized) - 70eV, Positive	splash10-01pc-8950000000-2ab0ad026160a115d34a	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galactosylglycerol GC-MS (6 TMS) - 70eV, Positive	splash10-00di-1120229000-fb00db4830a4b4ea861f	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galactosylglycerol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Galactosylglycerol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 10V, Positive-QTOF	splash10-0a4r-2290000000-2a5149feb24795c7b79d	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 20V, Positive-QTOF	splash10-004l-9230000000-2a96dc687f7a244ae29a	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 40V, Positive-QTOF	splash10-004l-9500000000-ec5346c07e7023876c0d	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 10V, Negative-QTOF	splash10-0udi-5690000000-6778794a074e42e6e8fd	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 20V, Negative-QTOF	splash10-0itc-7930000000-60a6b3e596cefbf15555	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 40V, Negative-QTOF	splash10-006x-9300000000-67ad70b9f13e121d5e0c	2016-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 10V, Negative-QTOF	splash10-0w29-1690000000-8198e0d9b54e0889ea5c	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 20V, Negative-QTOF	splash10-0r0c-9430000000-12dd3c060d7e8ad406ef	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 40V, Negative-QTOF	splash10-0a4l-9000000000-393bf60f5c57a1c20727	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 10V, Positive-QTOF	splash10-052r-0390000000-eeb61f13ce6373429218	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 20V, Positive-QTOF	splash10-0a4i-9530000000-caee0578db41f8d047b0	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosylglycerol 40V, Positive-QTOF	splash10-056r-9000000000-66eeaad1c45d16391f48	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Galactose Metabolism
Starch and sucrose metabolism	Not Available
Gaucher Disease		Not Available
Globoid Cell Leukodystrophy		Not Available
Metachromatic Leukodystrophy (MLD)		Not Available

Normal Concentrations

Not Available

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details
Urine	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Cancer patients undergoing total body irradiation	31424920	details

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB024079

KNApSAcK ID

Not Available

Chemspider ID

570889

KEGG Compound ID

C05401

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

656504

PDB ID

Not Available

ChEBI ID

15754

Food Biomarker Ontology

Not Available

VMH ID

HC01444

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Pancreatic lipase-related protein 2

General function:: Involved in catalytic activity
Specific function:: Lipase with broad substrate specificity. Can hydrolyze both phospholipids and galactolipids. Acts preferentially on monoglycerides, phospholipids and galactolipids. Contributes to milk fat hydrolysis.
Gene Name:: PNLIPRP2
Uniprot ID:: P54317
Molecular weight:: 52077.475

Reactions

1,2-diacyl-3-beta-D-galactosyl-sn-glycerol + Water → Galactosylglycerol + carboxylates	details

Enzyme Details

2. Lactase-phlorizin hydrolase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: LPH splits lactose in the small intestine.
Gene Name:: LCT
Uniprot ID:: P09848
Molecular weight:: 218584.77

Enzyme Details

3. Alpha-galactosidase A

General function:: Involved in catalytic activity
Specific function:: Not Available
Gene Name:: GLA
Uniprot ID:: P06280
Molecular weight:: Not Available

Reactions

Galactosylglycerol + Water → beta-D-Galactose + Glycerol	details

Enzyme Details

4. Beta-galactosidase

General function:: Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:: Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans. Isoform 2 has no beta-galactosidase catalytic activity, but plays functional roles in the formation of extracellular elastic fibers (elastogenesis) and in the development of connective tissue. Seems to be identical to the elastin-binding protein (EBP), a major component of the non-integrin cell surface receptor expressed on fibroblasts, smooth muscle cells, chondroblasts, leukocytes, and certain cancer cell types. In elastin producing cells, associates with tropoelastin intracellularly and functions as a recycling molecular chaperone which facilitates the secretions of tropoelastin and its assembly into elastic fibers.
Gene Name:: GLB1
Uniprot ID:: P16278
Molecular weight:: Not Available

Enzyme Details

5. Glycophorin-B

General function:: Not Available
Specific function:: This protein is a minor sialoglycoprotein in erythrocyte membranes
Gene Name:: GYPB
Uniprot ID:: P06028
Molecular weight:: 9795.6

Showing metabocard for Galactosylglycerol (HMDB0006790)

MOL for HMDB0006790 (Galactosylglycerol)

3D MOL for HMDB0006790 (Galactosylglycerol)

3D SDF for HMDB0006790 (Galactosylglycerol)

3D-SDF for HMDB0006790 (Galactosylglycerol)

PDB for HMDB0006790 (Galactosylglycerol)

3D PDB for HMDB0006790 (Galactosylglycerol)

SMILES for HMDB0006790 (Galactosylglycerol)

INCHI for HMDB0006790 (Galactosylglycerol)

Structure for HMDB0006790 (Galactosylglycerol)

3D Structure for HMDB0006790 (Galactosylglycerol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

Reactions