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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

HMDB0029353

Secondary Accession Numbers

HMDB29353

Metabolite Identification

Common Name

Galactosyl 4-hydroxyproline

Description

Galactosyl 4-hydroxyproline belongs to the class of organic compounds known as alpha-amino acyl ester of carbohydrates. Alpha-amino acyl ester of carbohydrates are compounds containing an amino acid esterified with a carbohydrate. Based on a literature review very few articles have been published on Galactosyl 4-hydroxyproline.

Structure

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

HMDB0029353
     RDKit          3D
Galactosyl 4-hydroxyproline
 39 40  0  0  0  0  0  0  0  0999 V2000
    1.1221   -1.1664    0.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998   -0.3203   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671    0.4690   -0.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9183    0.2708   -0.4264 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8775   -0.3454   -1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7544   -0.8624   -0.1573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5305   -2.0421   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -1.8337   -1.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6356    0.3733    0.1170 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9518    0.8997   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7886    1.3851    0.8317 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3478    2.6690    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848    1.5275    0.2647 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5432    1.7646    1.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -0.1260   -0.8920 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5755   -1.2039   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7773   -0.5540    0.5190 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8983   -0.9021   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    0.8945    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    1.0760   -0.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987   -0.5019    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951   -0.9975    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -2.8515   -0.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864   -2.4903    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480   -2.2615   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5061    0.0950    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    1.5629   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234    1.1041    1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2147    2.6108    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    2.4417   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.9615    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.2349   -1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233   -2.1306   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804   -1.4507    0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749   -0.8880    1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612   -1.5891   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3396    1.4967    0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    1.2360    1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2492    1.9142   -0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 13  4  1  0
 20 15  1  0
  4 21  1  1
  6 22  1  1
  7 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  1
 12 29  1  0
 13 30  1  6
 14 31  1  0
 15 32  1  6
 16 33  1  0
 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          

 20 21  0  0  0  0            999 V2000
10000.1458 9997.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1458 9998.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.8488 9995.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.7590 9997.7398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.0900 9997.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.3456 9996.4669    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.1727 9996.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4283 9997.2536    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10002.2888 9998.8925    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10003.0033 9998.4799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10003.0033 9997.6551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10001.5743 9997.6551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.8600 9997.2426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2888 9997.2426    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10001.5743 9998.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2888 9999.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.7175 9998.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.7176 9997.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.2888 9996.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.003210000.1297    0.0000 O   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
 11 10  1  0  0  0  0
 10  9  1  0  0  0  0
 12 13  1  6  0  0  0
  1 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  1  0  0  0  0
  9 16  1  6  0  0  0
 10 17  1  6  0  0  0
 11 18  1  6  0  0  0
 14 19  1  1  0  0  0
 16 20  1  0  0  0  0
  9 15  1  0  0  0  0
 12 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029353

> <DATABASE_NAME>
hmdb

> <SMILES>
OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O

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

> <INCHI_KEY>
GUEWQMQDXXTGGY-JMDQJPJYSA-N

> <FORMULA>
C11H19NO8

> <MOLECULAR_WEIGHT>
293.272

> <EXACT_MASS>
293.111066576

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
28.028349479774157

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

> <ALOGPS_LOGP>
-2.29

> <JCHEM_LOGP>
-3.5129071153333333

> <ALOGPS_LOGS>
-0.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
13.185526827489486

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.195083784759609

> <JCHEM_PKA_STRONGEST_BASIC>
6.767847809125898

> <JCHEM_POLAR_SURFACE_AREA>
148.71

> <JCHEM_REFRACTIVITY>
61.8134

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.37e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0029353
     RDKit          3D
Galactosyl 4-hydroxyproline
 39 40  0  0  0  0  0  0  0  0999 V2000
    1.1221   -1.1664    0.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998   -0.3203   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671    0.4690   -0.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9183    0.2708   -0.4264 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8775   -0.3454   -1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7544   -0.8624   -0.1573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5305   -2.0421   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -1.8337   -1.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6356    0.3733    0.1170 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9518    0.8997   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7886    1.3851    0.8317 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3478    2.6690    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848    1.5275    0.2647 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5432    1.7646    1.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -0.1260   -0.8920 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5755   -1.2039   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7773   -0.5540    0.5190 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8983   -0.9021   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    0.8945    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    1.0760   -0.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987   -0.5019    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951   -0.9975    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -2.8515   -0.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864   -2.4903    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480   -2.2615   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5061    0.0950    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    1.5629   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234    1.1041    1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2147    2.6108    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    2.4417   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.9615    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.2349   -1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233   -2.1306   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804   -1.4507    0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749   -0.8880    1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612   -1.5891   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3396    1.4967    0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    1.2360    1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2492    1.9142   -0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 13  4  1  0
 20 15  1  0
  4 21  1  1
  6 22  1  1
  7 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  1
 12 29  1  0
 13 30  1  6
 14 31  1  0
 15 32  1  6
 16 33  1  0
 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    8666.9398662.293   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0    8666.9398663.834   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8662.6518658.836   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0    8664.3508662.448   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0    8663.1018661.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8663.5788660.072   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8665.1228660.072   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8665.5998661.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8670.9398664.599   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8672.2738663.829   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8672.2738662.290   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8669.6058662.290   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8668.2728661.520   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8670.9398661.520   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0    8669.6058663.829   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0    8670.9398666.139   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8673.6068664.599   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8673.6068661.520   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0    8670.9398659.980   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0    8672.2738666.909   0.000  0.00  0.00           O+0
CONECT    1    2    8   13                                                  
CONECT    2    1                                                            
CONECT    3    6                                                            
CONECT    4    5    8                                                       
CONECT    5    6    4                                                       
CONECT    6    5    7    3                                                  
CONECT    7    6    8                                                       
CONECT    8    7    4    1                                                  
CONECT    9   10   16   15                                                  
CONECT   10   11    9   17                                                  
CONECT   11   10   14   18                                                  
CONECT   12   13   14   15                                                  
CONECT   13   12    1                                                       
CONECT   14   11   12   19                                                  
CONECT   15    9   12                                                       
CONECT   16    9   20                                                       
CONECT   17   10                                                            
CONECT   18   11                                                            
CONECT   19   14                                                            
CONECT   20   16                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   42    0
END

COMPND    HMDB0029353
HETATM    1  O1  UNL     1       1.122  -1.166   0.418  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.400  -0.320  -0.445  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.367   0.469  -0.966  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.918   0.271  -0.426  1.00  0.00           C  
HETATM    5  O3  UNL     1      -1.877  -0.345  -1.167  1.00  0.00           O  
HETATM    6  C3  UNL     1      -2.754  -0.862  -0.157  1.00  0.00           C  
HETATM    7  C4  UNL     1      -3.530  -2.042  -0.530  1.00  0.00           C  
HETATM    8  O4  UNL     1      -4.477  -1.834  -1.540  1.00  0.00           O  
HETATM    9  C5  UNL     1      -3.636   0.373   0.117  1.00  0.00           C  
HETATM   10  O5  UNL     1      -3.952   0.900  -1.159  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.789   1.385   0.832  1.00  0.00           C  
HETATM   12  O6  UNL     1      -3.348   2.669   0.746  1.00  0.00           O  
HETATM   13  C7  UNL     1      -1.385   1.527   0.265  1.00  0.00           C  
HETATM   14  O7  UNL     1      -0.543   1.765   1.342  1.00  0.00           O  
HETATM   15  C8  UNL     1       2.845  -0.126  -0.892  1.00  0.00           C  
HETATM   16  C9  UNL     1       3.575  -1.204  -0.050  1.00  0.00           C  
HETATM   17  C10 UNL     1       4.777  -0.554   0.519  1.00  0.00           C  
HETATM   18  O8  UNL     1       5.898  -0.902  -0.211  1.00  0.00           O  
HETATM   19  C11 UNL     1       4.447   0.895   0.506  1.00  0.00           C  
HETATM   20  N1  UNL     1       3.301   1.076  -0.267  1.00  0.00           N  
HETATM   21  H1  UNL     1      -0.799  -0.502   0.452  1.00  0.00           H  
HETATM   22  H2  UNL     1      -2.195  -0.997   0.794  1.00  0.00           H  
HETATM   23  H3  UNL     1      -2.839  -2.851  -0.965  1.00  0.00           H  
HETATM   24  H4  UNL     1      -3.986  -2.490   0.362  1.00  0.00           H  
HETATM   25  H5  UNL     1      -5.348  -2.262  -1.205  1.00  0.00           H  
HETATM   26  H6  UNL     1      -4.506   0.095   0.708  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.240   1.563  -1.433  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.723   1.104   1.894  1.00  0.00           H  
HETATM   29  H9  UNL     1      -4.215   2.611   0.265  1.00  0.00           H  
HETATM   30  H10 UNL     1      -1.337   2.442  -0.358  1.00  0.00           H  
HETATM   31  H11 UNL     1      -0.241   0.962   1.812  1.00  0.00           H  
HETATM   32  H12 UNL     1       3.010  -0.235  -1.945  1.00  0.00           H  
HETATM   33  H13 UNL     1       3.723  -2.131  -0.608  1.00  0.00           H  
HETATM   34  H14 UNL     1       2.880  -1.451   0.821  1.00  0.00           H  
HETATM   35  H15 UNL     1       4.875  -0.888   1.599  1.00  0.00           H  
HETATM   36  H16 UNL     1       5.661  -1.589  -0.912  1.00  0.00           H  
HETATM   37  H17 UNL     1       5.340   1.497   0.189  1.00  0.00           H  
HETATM   38  H18 UNL     1       4.167   1.236   1.576  1.00  0.00           H  
HETATM   39  H19 UNL     1       3.249   1.914  -0.859  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   15
CONECT    3    4
CONECT    4    5   13   21
CONECT    5    6
CONECT    6    7    9   22
CONECT    7    8   23   24
CONECT    8   25
CONECT    9   10   11   26
CONECT   10   27
CONECT   11   12   13   28
CONECT   12   29
CONECT   13   14   30
CONECT   14   31
CONECT   15   16   20   32
CONECT   16   17   33   34
CONECT   17   18   19   35
CONECT   18   36
CONECT   19   20   37   38
CONECT   20   39
END

HMDB0029353
     RDKit          3D
Galactosyl 4-hydroxyproline
 39 40  0  0  0  0  0  0  0  0999 V2000
    1.1221   -1.1664    0.4176 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3998   -0.3203   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671    0.4690   -0.9656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9183    0.2708   -0.4264 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8775   -0.3454   -1.1671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7544   -0.8624   -0.1573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5305   -2.0421   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4770   -1.8337   -1.5396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6356    0.3733    0.1170 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9518    0.8997   -1.1589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7886    1.3851    0.8317 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3478    2.6690    0.7464 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3848    1.5275    0.2647 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5432    1.7646    1.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8449   -0.1260   -0.8920 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5755   -1.2039   -0.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7773   -0.5540    0.5190 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8983   -0.9021   -0.2110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    0.8945    0.5062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    1.0760   -0.2673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987   -0.5019    0.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951   -0.9975    0.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8393   -2.8515   -0.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864   -2.4903    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3480   -2.2615   -1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5061    0.0950    0.7084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    1.5629   -1.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234    1.1041    1.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2147    2.6108    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3367    2.4417   -0.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2414    0.9615    1.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0103   -0.2349   -1.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233   -2.1306   -0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8804   -1.4507    0.8214 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8749   -0.8880    1.5994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6612   -1.5891   -0.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3396    1.4967    0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1672    1.2360    1.5757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2492    1.9142   -0.8588 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
  2 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 13  4  1  0
 20 15  1  0
  4 21  1  1
  6 22  1  1
  7 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  1
 10 27  1  0
 11 28  1  1
 12 29  1  0
 13 30  1  6
 14 31  1  0
 15 32  1  6
 16 33  1  0
 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 beta-D-galactopyranosyl ester	HMDB
4-Hydroxyproline beta-D-galactosyl ester	HMDB
4-Hydroxyproline galactopyranosyl ester	HMDB
4-Hydroxyproline galactosyl ester	HMDB
4-Hydroxyproline β-D-galactopyranosyl ester	HMDB
4-Hydroxyproline β-D-galactosyl ester	HMDB
4-Hydroxyproline-beta-D-galactopyranosyl ester	HMDB
4-Hydroxyproline-beta-D-galactosyl ester	HMDB
4-Hydroxyproline-galactopyranosyl ester	HMDB
4-Hydroxyproline-galactosyl ester	HMDB
4-Hydroxyproline-β-D-galactopyranosyl ester	HMDB
4-Hydroxyproline-β-D-galactosyl ester	HMDB
Galactopyranosyl 4-hydroxyproline	HMDB
beta-D-Galactopyranosyl 4-hydroxyproline	HMDB
beta-D-Galactosyl 4-hydroxyproline	HMDB
Β-D-galactopyranosyl 4-hydroxyproline	HMDB
Β-D-galactosyl 4-hydroxyproline	HMDB
(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid	HMDB
Galactosyl 4-hydroxyproline	HMDB

Chemical Formula

C₁₁H₁₉NO₈

Average Molecular Weight

293.272

Monoisotopic Molecular Weight

293.111066576

IUPAC Name

(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

Traditional Name

(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate

CAS Registry Number

79284-73-4

SMILES

OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O

InChI Identifier

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

InChI Key

GUEWQMQDXXTGGY-JMDQJPJYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha-amino acyl ester of carbohydrates. Alpha-amino acyl ester of carbohydrates are compounds containing an amino acid esterified with a carbohydrate.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha-amino acyl ester of carbohydrates

Alternative Parents

Substituents

Alpha-amino acyl ester of carbohydrate
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Proline or derivatives
Hexose monosaccharide
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine carboxylic acid
Fatty acyl
Oxane
Monosaccharide
Pyrrolidine
Secondary alcohol
Carboxylic acid ester
1,2-aminoalcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Secondary amine
Polyol
Monocarboxylic acid or derivatives
Secondary aliphatic amine
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	237 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-3.5	ChemAxon
logS	-0.09	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	6.77	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	148.71 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	61.81 m³·mol⁻¹	ChemAxon
Polarizability	28.03 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]+	166.133	30932474
DeepCCS	[M-H]-	163.737	30932474
DeepCCS	[M-2H]-	197.399	30932474
DeepCCS	[M+Na]+	172.089	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Galactosyl 4-hydroxyproline	OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O	3696.1	Standard polar	33892256
Galactosyl 4-hydroxyproline	OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O	2533.3	Standard non polar	33892256
Galactosyl 4-hydroxyproline	OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O	2669.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Galactosyl 4-hydroxyproline,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O	2438.7	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TMS,isomer #2	C[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1	2437.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2)O[C@H](CO)[C@H](O)[C@@H]1O	2432.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TMS,isomer #4	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@@H]1O	2438.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TMS,isomer #5	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@H]1O	2424.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TMS,isomer #6	C[Si](C)(C)N1C[C@H](O)C[C@H]1C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2432.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O)[C@@H](O)[C@H]1O	2454.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #10	C[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2476.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@@H]1O[Si](C)(C)C	2481.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	2455.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@H]1O[Si](C)(C)C	2469.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@@H]1O	2459.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O)[C@H]1O	2451.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2475.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2484.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2476.7	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2467.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #6	C[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)C1	2463.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@@H]1O	2480.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #8	C[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)C1	2466.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)N([Si](C)(C)C)C1	2490.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2442.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2484.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O)[C@H]1O[Si](C)(C)C	2455.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #12	C[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)C1	2470.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N([Si](C)(C)C)C1	2489.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@@H]1O[Si](C)(C)C	2469.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@@H]1O	2502.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #16	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N([Si](C)(C)C)C1	2491.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,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](OC(=O)[C@@H]2C[C@@H](O)CN2)O[C@@H]1CO	2481.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H]1O	2495.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2494.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2459.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2483.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2445.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2479.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2478.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2502.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2476.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2459.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2493.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2472.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2517.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)O[C@@H]1CO	2466.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #12	C[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	2510.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #13	C[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N([Si](C)(C)C)C1	2516.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #14	C[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	2514.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,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](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)O[C@@H]1CO	2514.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2508.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O	2489.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2464.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O	2520.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C	2493.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2517.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2515.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2530.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2492.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	2507.7	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	2512.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	2505.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[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	2533.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[Si](C)(C)C)O[C@@H]1CO	2513.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[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	2531.7	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C)CN2[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	2568.4	Standard non polar	33892256
Galactosyl 4-hydroxyproline,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O	2688.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C1	2671.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2)O[C@H](CO)[C@H](O)[C@@H]1O	2674.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@@H]1O	2678.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@H]1O	2673.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N1C[C@H](O)C[C@H]1C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2723.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O)[C@@H](O)[C@H]1O	2901.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	2913.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@@H]1O[Si](C)(C)C(C)(C)C	2920.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O)[C@@H]1O	2963.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2910.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@@H]1O	2957.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	2959.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	2919.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	2932.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	2917.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	2962.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)C1	2917.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@@H]1O	2927.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C1	2915.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)N([Si](C)(C)C(C)(C)C)C1	2972.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3120.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3190.7	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3109.6	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1CN[C@H](C(=O)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)C1	3119.7	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)N([Si](C)(C)C(C)(C)C)C1	3224.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@@H]1O[Si](C)(C)C(C)(C)C	3121.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@@H]1O	3218.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)C1	3225.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,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](OC(=O)[C@@H]2C[C@@H](O)CN2)O[C@@H]1CO	3100.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3191.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3192.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3123.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3186.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3113.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O	3206.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3109.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3128.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3187.3	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3096.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3193.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3301.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[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	3398.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #11	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](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)O[C@@H]1CO	3280.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3427.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(=O)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)N([Si](C)(C)C(C)(C)C)C1	3423.9	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	3435.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,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](OC(=O)[C@@H]2C[C@@H](O)CN2[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3398.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3321.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3425.2	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3292.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3427.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3426.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2)[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	3334.4	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[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	3399.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[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	3395.0	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2)[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	3532.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[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	3625.5	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[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	3620.1	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[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	3623.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC(=O)[C@@H]2C[C@@H](O)CN2[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	3592.8	Semi standard non polar	33892256
Galactosyl 4-hydroxyproline,5TBDMS,isomer #6	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](OC(=O)[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CN2[Si](C)(C)C(C)(C)C)O[C@@H]1CO	3617.1	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 - Galactosyl 4-hydroxyproline 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 - Galactosyl 4-hydroxyproline 10V, Positive-QTOF	splash10-0006-2190000000-1f295036f040e84e3987	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosyl 4-hydroxyproline 20V, Positive-QTOF	splash10-00kr-9220000000-123d87c03dcc6ef57779	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosyl 4-hydroxyproline 40V, Positive-QTOF	splash10-0671-9200000000-19dadeeb2a075221ba91	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosyl 4-hydroxyproline 10V, Negative-QTOF	splash10-01po-0940000000-2f753eae5224b8fa6866	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosyl 4-hydroxyproline 20V, Negative-QTOF	splash10-03ec-5910000000-f4db5cf98a8e8f766c20	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Galactosyl 4-hydroxyproline 40V, Negative-QTOF	splash10-066u-9100000000-672d0de869da93bc3288	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)	2021-09-30	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

FDB000418

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

156908031

PDB ID

Not Available

ChEBI ID

191531

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Galactosyl 4-hydroxyproline (HMDB0029353)

MOL for HMDB0029353 (Galactosyl 4-hydroxyproline)

3D MOL for HMDB0029353 (Galactosyl 4-hydroxyproline)

3D SDF for HMDB0029353 (Galactosyl 4-hydroxyproline)

3D-SDF for HMDB0029353 (Galactosyl 4-hydroxyproline)

PDB for HMDB0029353 (Galactosyl 4-hydroxyproline)

3D PDB for HMDB0029353 (Galactosyl 4-hydroxyproline)

SMILES for HMDB0029353 (Galactosyl 4-hydroxyproline)

INCHI for HMDB0029353 (Galactosyl 4-hydroxyproline)

Structure for HMDB0029353 (Galactosyl 4-hydroxyproline)

3D Structure for HMDB0029353 (Galactosyl 4-hydroxyproline)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra