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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:29:55 UTC

Update Date

2022-03-07 02:52:08 UTC

HMDB ID

HMDB0029354

Secondary Accession Numbers

HMDB29354

Metabolite Identification

Common Name

4-Hydroxyproline galactoside

Description

4-Hydroxyproline galactoside belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Based on a literature review a significant number of articles have been published on 4-Hydroxyproline galactoside.

Structure

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

HMDB0029354
     RDKit          3D
4-Hydroxyproline galactoside
 39 40  0  0  0  0  0  0  0  0999 V2000
    5.2698    1.1766    0.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9388    0.0331    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909   -0.4803   -0.9064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -0.7125    0.7020 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6800   -0.8596   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681    0.2155    0.0456 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5474   -0.2855    0.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6383    0.0788    0.0799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4981    0.7252    0.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6205    1.1686    0.2891 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5234    1.9190    1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8887    3.0243    1.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260    0.0227   -0.2877 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9759   -0.7757    0.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503   -0.8711   -1.1492 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2166   -2.0446   -1.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223   -1.2012   -0.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3940   -1.9452   -1.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    1.0489    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    0.0670    1.7708 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    0.1397   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645   -1.6675    1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -0.7927   -1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -1.8690   -0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    0.8197   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    0.7144   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693    1.8337   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042    1.2168    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4354    2.2136    0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2568    3.3644    1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139    0.4494   -0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635   -1.7311    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255   -0.3448   -2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410   -2.7681   -1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357   -1.7234    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041   -2.9085   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    1.8401    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923    1.4587    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892   -0.5493    2.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  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
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 20  4  1  0
 17  8  1  0
  3 21  1  0
  4 22  1  1
  5 23  1  0
  5 24  1  0
  6 25  1  6
  8 26  1  6
 10 27  1  6
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  6
 14 32  1  0
 15 33  1  6
 16 34  1  0
 17 35  1  1
 18 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
M  END

  Mrv1652307191923572D          

 21 22  0  0  0  0            999 V2000
10002.1065 9999.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.106510000.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.8090 9997.7646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.7194 9999.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
10000.0503 9999.2137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3059 9998.4269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.1332 9998.4269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.3888 9999.2137    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.8208 9999.2027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9899 9997.8634    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.6543 9998.6171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8338 9998.7033    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.3489 9998.0358    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.6844 9997.2821    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.5050 9997.1959    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9997.4982 9999.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.5284 9998.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1994 9996.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8405 9996.4422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6777 9999.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.3197 9997.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  6  3  1  1  0  0  0
  8  1  1  6  0  0  0
  1  9  1  0  0  0  0
  3 10  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 16  1  1  0  0  0
 16 20  1  0  0  0  0
 13 17  1  1  0  0  0
 14 18  1  1  0  0  0
 15 19  1  6  0  0  0
 10 21  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0029354

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]1(O[C@H]2CN[C@@H](C2)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18)/t4-,5+,6-,7+,8+,9-,11-/m1/s1

> <INCHI_KEY>
OJEYXWIZDRJBDC-OXZULGGVSA-N

> <FORMULA>
C11H19NO8

> <MOLECULAR_WEIGHT>
293.272

> <EXACT_MASS>
293.111066576

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
27.691657827882935

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,4R)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid

> <ALOGPS_LOGP>
-2.77

> <JCHEM_LOGP>
-5.487165546874253

> <ALOGPS_LOGS>
-0.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.218445602437273

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2346181006738561

> <JCHEM_PKA_STRONGEST_BASIC>
10.514915054770832

> <JCHEM_POLAR_SURFACE_AREA>
148.71

> <JCHEM_REFRACTIVITY>
61.7955

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.86e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,4R)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029354
     RDKit          3D
4-Hydroxyproline galactoside
 39 40  0  0  0  0  0  0  0  0999 V2000
    5.2698    1.1766    0.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9388    0.0331    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909   -0.4803   -0.9064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -0.7125    0.7020 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6800   -0.8596   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681    0.2155    0.0456 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5474   -0.2855    0.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6383    0.0788    0.0799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4981    0.7252    0.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6205    1.1686    0.2891 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5234    1.9190    1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8887    3.0243    1.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260    0.0227   -0.2877 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9759   -0.7757    0.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503   -0.8711   -1.1492 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2166   -2.0446   -1.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223   -1.2012   -0.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3940   -1.9452   -1.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    1.0489    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    0.0670    1.7708 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    0.1397   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645   -1.6675    1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -0.7927   -1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -1.8690   -0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    0.8197   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    0.7144   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693    1.8337   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042    1.2168    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4354    2.2136    0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2568    3.3644    1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139    0.4494   -0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635   -1.7311    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255   -0.3448   -2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410   -2.7681   -1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357   -1.7234    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041   -2.9085   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    1.8401    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923    1.4587    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892   -0.5493    2.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  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
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 20  4  1  0
 17  8  1  0
  3 21  1  0
  4 22  1  1
  5 23  1  0
  5 24  1  0
  6 25  1  6
  8 26  1  6
 10 27  1  6
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  6
 14 32  1  0
 15 33  1  6
 16 34  1  0
 17 35  1  1
 18 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
M  END

HEADER    PROTEIN                                 19-JUL-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUL-19         0                                  
HETATM    1  C   UNK     0    8670.5998665.952   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8670.5998667.494   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8666.3108662.494   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0    8668.0108666.107   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8666.7618665.199   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8667.2388663.730   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8668.7828663.730   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8669.2598665.199   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0    8671.9328665.178   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0    8664.7818662.678   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8664.1558664.085   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0    8662.6238664.246   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8661.7188663.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8662.3448661.593   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8663.8768661.432   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8661.9978665.653   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8660.1868663.161   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8661.4398660.347   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8664.5028660.025   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8660.4658665.814   0.000  0.00  0.00           O+0
HETATM   21  H   UNK     0    8665.3978661.267   0.000  0.00  0.00           H+0
CONECT    1    2    8    9                                                  
CONECT    2    1                                                            
CONECT    3    6   10                                                       
CONECT    4    5    8                                                       
CONECT    5    6    4                                                       
CONECT    6    5    7    3                                                  
CONECT    7    6    8                                                       
CONECT    8    7    4    1                                                  
CONECT    9    1                                                            
CONECT   10    3   15   11   21                                             
CONECT   11   12   10                                                       
CONECT   12   13   11   16                                                  
CONECT   13   12   14   17                                                  
CONECT   14   13   15   18                                                  
CONECT   15   14   10   19                                                  
CONECT   16   12   20                                                       
CONECT   17   13                                                            
CONECT   18   14                                                            
CONECT   19   15                                                            
CONECT   20   16                                                            
CONECT   21   10                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

COMPND    HMDB0029354
HETATM    1  O1  UNL     1       5.270   1.177   0.585  1.00  0.00           O  
HETATM    2  C1  UNL     1       4.939   0.033   0.137  1.00  0.00           C  
HETATM    3  O2  UNL     1       5.691  -0.480  -0.906  1.00  0.00           O  
HETATM    4  C2  UNL     1       3.808  -0.712   0.702  1.00  0.00           C  
HETATM    5  C3  UNL     1       2.680  -0.860  -0.290  1.00  0.00           C  
HETATM    6  C4  UNL     1       1.668   0.215   0.046  1.00  0.00           C  
HETATM    7  O3  UNL     1       0.547  -0.285   0.687  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.638   0.079   0.080  1.00  0.00           C  
HETATM    9  O4  UNL     1      -1.498   0.725   0.972  1.00  0.00           O  
HETATM   10  C6  UNL     1      -2.621   1.169   0.289  1.00  0.00           C  
HETATM   11  C7  UNL     1      -3.523   1.919   1.242  1.00  0.00           C  
HETATM   12  O5  UNL     1      -2.889   3.024   1.800  1.00  0.00           O  
HETATM   13  C8  UNL     1      -3.426   0.023  -0.288  1.00  0.00           C  
HETATM   14  O6  UNL     1      -3.976  -0.776   0.729  1.00  0.00           O  
HETATM   15  C9  UNL     1      -2.550  -0.871  -1.149  1.00  0.00           C  
HETATM   16  O7  UNL     1      -3.217  -2.045  -1.441  1.00  0.00           O  
HETATM   17  C10 UNL     1      -1.322  -1.201  -0.355  1.00  0.00           C  
HETATM   18  O8  UNL     1      -0.394  -1.945  -1.076  1.00  0.00           O  
HETATM   19  C11 UNL     1       2.427   1.049   1.057  1.00  0.00           C  
HETATM   20  N1  UNL     1       3.217   0.067   1.771  1.00  0.00           N  
HETATM   21  H1  UNL     1       6.055   0.140  -1.589  1.00  0.00           H  
HETATM   22  H2  UNL     1       4.164  -1.668   1.107  1.00  0.00           H  
HETATM   23  H3  UNL     1       3.079  -0.793  -1.300  1.00  0.00           H  
HETATM   24  H4  UNL     1       2.232  -1.869  -0.122  1.00  0.00           H  
HETATM   25  H5  UNL     1       1.394   0.820  -0.843  1.00  0.00           H  
HETATM   26  H6  UNL     1      -0.478   0.714  -0.823  1.00  0.00           H  
HETATM   27  H7  UNL     1      -2.369   1.834  -0.567  1.00  0.00           H  
HETATM   28  H8  UNL     1      -3.904   1.217   2.021  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.435   2.214   0.651  1.00  0.00           H  
HETATM   30  H10 UNL     1      -2.257   3.364   1.113  1.00  0.00           H  
HETATM   31  H11 UNL     1      -4.214   0.449  -0.928  1.00  0.00           H  
HETATM   32  H12 UNL     1      -3.764  -1.731   0.587  1.00  0.00           H  
HETATM   33  H13 UNL     1      -2.226  -0.345  -2.070  1.00  0.00           H  
HETATM   34  H14 UNL     1      -2.541  -2.768  -1.555  1.00  0.00           H  
HETATM   35  H15 UNL     1      -1.636  -1.723   0.570  1.00  0.00           H  
HETATM   36  H16 UNL     1      -0.604  -2.908  -0.927  1.00  0.00           H  
HETATM   37  H17 UNL     1       3.027   1.840   0.590  1.00  0.00           H  
HETATM   38  H18 UNL     1       1.692   1.459   1.803  1.00  0.00           H  
HETATM   39  H19 UNL     1       2.589  -0.549   2.301  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   21
CONECT    4    5   20   22
CONECT    5    6   23   24
CONECT    6    7   19   25
CONECT    7    8
CONECT    8    9   17   26
CONECT    9   10
CONECT   10   11   13   27
CONECT   11   12   28   29
CONECT   12   30
CONECT   13   14   15   31
CONECT   14   32
CONECT   15   16   17   33
CONECT   16   34
CONECT   17   18   35
CONECT   18   36
CONECT   19   20   37   38
CONECT   20   39
END

HMDB0029354
     RDKit          3D
4-Hydroxyproline galactoside
 39 40  0  0  0  0  0  0  0  0999 V2000
    5.2698    1.1766    0.5846 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9388    0.0331    0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6909   -0.4803   -0.9064 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -0.7125    0.7020 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6800   -0.8596   -0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681    0.2155    0.0456 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5474   -0.2855    0.6875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6383    0.0788    0.0799 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4981    0.7252    0.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6205    1.1686    0.2891 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5234    1.9190    1.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8887    3.0243    1.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4260    0.0227   -0.2877 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9759   -0.7757    0.7293 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5503   -0.8711   -1.1492 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2166   -2.0446   -1.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3223   -1.2012   -0.3547 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3940   -1.9452   -1.0763 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4273    1.0489    1.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2174    0.0670    1.7708 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0555    0.1397   -1.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645   -1.6675    1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -0.7927   -1.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319   -1.8690   -0.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3941    0.8197   -0.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4784    0.7144   -0.8233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3693    1.8337   -0.5669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9042    1.2168    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4354    2.2136    0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2568    3.3644    1.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2139    0.4494   -0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7635   -1.7311    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2255   -0.3448   -2.0704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5410   -2.7681   -1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6357   -1.7234    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041   -2.9085   -0.9268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0272    1.8401    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6923    1.4587    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5892   -0.5493    2.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  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
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 20  4  1  0
 17  8  1  0
  3 21  1  0
  4 22  1  1
  5 23  1  0
  5 24  1  0
  6 25  1  6
  8 26  1  6
 10 27  1  6
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  6
 14 32  1  0
 15 33  1  6
 16 34  1  0
 17 35  1  1
 18 36  1  0
 19 37  1  0
 19 38  1  0
 20 39  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
4-Hydroxyproline 4-O-beta-D-galactopyranoside	HMDB
4-Hydroxyproline 4-O-beta-D-galactoside	HMDB
4-Hydroxyproline 4-O-β-D-galactopyranoside	HMDB
4-Hydroxyproline 4-O-β-D-galactoside	HMDB
(2S,4R)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylate	HMDB
4-Hydroxyproline galactoside	HMDB

Chemical Formula

C₁₁H₁₉NO₈

Average Molecular Weight

293.272

Monoisotopic Molecular Weight

293.111066576

IUPAC Name

(2S,4R)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid

Traditional Name

(2S,4R)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid

CAS Registry Number

80185-44-0

SMILES

[H][C@@]1(O[C@H]2CN[C@@H](C2)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Identifier

InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18)/t4-,5+,6-,7+,8+,9-,11-/m1/s1

InChI Key

OJEYXWIZDRJBDC-OXZULGGVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acyl glycosides

Direct Parent

Fatty acyl glycosides of mono- and disaccharides

Alternative Parents

Substituents

Fatty acyl glycoside of mono- or disaccharide
Proline or derivatives
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
L-alpha-amino acid
Alpha-amino acid or derivatives
Alpha-amino acid
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine carboxylic acid
Oxane
Monosaccharide
Pyrrolidine
Amino acid
Secondary alcohol
Amino acid or derivatives
Oxacycle
Azacycle
Organoheterocyclic compound
Secondary amine
Polyol
Monocarboxylic acid or derivatives
Secondary aliphatic amine
Carboxylic acid
Carboxylic acid derivative
Acetal
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Carbonyl group
Amine
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Physical Properties

State

Not Available

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	186 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-5.5	ChemAxon
logS	-0.2	ALOGPS
pKa (Strongest Acidic)	1.23	ChemAxon
pKa (Strongest Basic)	10.51	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	148.71 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	61.8 m³·mol⁻¹	ChemAxon
Polarizability	27.69 Å³	ChemAxon
Number of Rings	2	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
DeepCCS	[M+H]+	162.405	30932474
DeepCCS	[M-H]-	160.01	30932474
DeepCCS	[M-2H]-	194.151	30932474
DeepCCS	[M+Na]+	168.681	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
4-Hydroxyproline galactoside	[H][C@@]1(O[C@H]2CN[C@@H](C2)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	3964.2	Standard polar	33892256
4-Hydroxyproline galactoside	[H][C@@]1(O[C@H]2CN[C@@H](C2)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2557.0	Standard non polar	33892256
4-Hydroxyproline galactoside	[H][C@@]1(O[C@H]2CN[C@@H](C2)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2711.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
4-Hydroxyproline galactoside,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CN1	2466.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O)[C@H]1O	2463.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@H]1O	2467.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@@H]1O	2469.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1CN[C@H](C(=O)O)C1	2469.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TMS,isomer #6	C[Si](C)(C)N1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1C(=O)O	2501.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O	2482.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2CN[C@H](C(=O)O)C2)O[C@@H]1CO	2490.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@H]1O[Si](C)(C)C	2485.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O)[C@H]1O	2504.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@@H]1O[Si](C)(C)C	2493.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@@H]1O	2508.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@@H](C(=O)O)N([Si](C)(C)C)C1	2492.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)CN1	2489.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)CN1	2489.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #4	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)CN1	2475.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CN1[Si](C)(C)C	2493.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2494.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2501.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2505.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O	2526.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2432.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)CN1[Si](C)(C)C	2501.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2504.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2531.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2517.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2496.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2544.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2534.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@H]2CN[C@H](C(=O)O)C2)O[C@@H]1CO	2496.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)O[C@@H]1CO	2514.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O)[C@H]1O[Si](C)(C)C	2513.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2457.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@@H]1O[Si](C)(C)C	2514.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2441.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O	2510.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)CN1	2449.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #6	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)CN1	2459.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)CN1[Si](C)(C)C	2507.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)CN1	2458.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)CN1[Si](C)(C)C	2517.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2445.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #10	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)CN1[Si](C)(C)C	2528.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2536.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2552.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2567.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2562.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #15	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)O[C@@H]1CO	2536.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2489.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2505.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2439.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2532.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2517.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)CN1	2447.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)CN1[Si](C)(C)C	2532.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TMS,isomer #9	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)CN1[Si](C)(C)C	2529.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2469.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2532.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2537.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2537.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)CN1[Si](C)(C)C	2534.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2569.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2561.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)C2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2597.1	Standard non polar	33892256
4-Hydroxyproline galactoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CN1	2720.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O)[C@H]1O	2717.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@H]1O	2733.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@@H]1O	2732.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@H]1CN[C@H](C(=O)O)C1	2730.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C[C@H]1C(=O)O	2781.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O	2948.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #10	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](O[C@H]2CN[C@H](C(=O)O)C2)O[C@@H]1CO	2948.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2944.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@H]1O	3009.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@@H]1O[Si](C)(C)C(C)(C)C	2959.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@@H]1O	3002.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]1C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C1	3002.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)CN1	2953.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)CN1	2956.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)CN1	2947.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CN1[Si](C)(C)C(C)(C)C	3003.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2944.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2953.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2946.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O	2989.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3140.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	3232.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3139.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3163.8	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3215.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3126.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3216.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3219.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #17	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](O[C@H]2CN[C@H](C(=O)O)C2)O[C@@H]1CO	3124.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #18	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](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)O[C@@H]1CO	3219.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3222.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3133.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@@H]1O[Si](C)(C)C(C)(C)C	3227.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3130.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O	3216.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[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]2O)CN1	3119.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)CN1	3127.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)CN1[Si](C)(C)C(C)(C)C	3231.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)CN1	3135.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)CN1[Si](C)(C)C(C)(C)C	3224.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3305.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	3425.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O)C2)[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	3358.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3421.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3420.5	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3419.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #15	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](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)O[C@@H]1CO	3420.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3319.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3421.7	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3288.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3414.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3412.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[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]2O[Si](C)(C)C(C)(C)C)CN1	3286.1	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[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]2O)CN1[Si](C)(C)C(C)(C)C	3411.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	3414.6	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@H]2CN[C@H](C(=O)O[Si](C)(C)C(C)(C)C)C2)[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	3528.2	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3613.3	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3607.4	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3606.0	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1C[C@@H](O[C@@H]2O[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]2O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C	3599.9	Semi standard non polar	33892256
4-Hydroxyproline galactoside,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2C[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)C2)[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	3614.4	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 - 4-Hydroxyproline galactoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 4-Hydroxyproline galactoside 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 - 4-Hydroxyproline galactoside 10V, Negative-QTOF	splash10-0006-0290000000-56b9507fe49b3c381385	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxyproline galactoside 20V, Negative-QTOF	splash10-0536-9560000000-e2d684c78bea7692bf11	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxyproline galactoside 40V, Negative-QTOF	splash10-0a4l-9100000000-944368610d006aa04374	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxyproline galactoside 10V, Positive-QTOF	splash10-0006-0090000000-3049740e9ddb148c2872	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxyproline galactoside 20V, Positive-QTOF	splash10-02t9-9620000000-60a0a33dd99185c4431f	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 4-Hydroxyproline galactoside 40V, Positive-QTOF	splash10-014l-9610000000-2ae85c52b37b8c7b5f4a	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-30	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

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

FDB000419

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

156908032

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for 4-Hydroxyproline galactoside (HMDB0029354)

MOL for HMDB0029354 (4-Hydroxyproline galactoside)

3D MOL for HMDB0029354 (4-Hydroxyproline galactoside)

3D SDF for HMDB0029354 (4-Hydroxyproline galactoside)

3D-SDF for HMDB0029354 (4-Hydroxyproline galactoside)

PDB for HMDB0029354 (4-Hydroxyproline galactoside)

3D PDB for HMDB0029354 (4-Hydroxyproline galactoside)

SMILES for HMDB0029354 (4-Hydroxyproline galactoside)

INCHI for HMDB0029354 (4-Hydroxyproline galactoside)

Structure for HMDB0029354 (4-Hydroxyproline galactoside)

3D Structure for HMDB0029354 (4-Hydroxyproline galactoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra