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Showing metabocard for Galactitol (HMDB0000107)

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enzymes (2) Show 2 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:14:31 UTC
HMDB IDHMDB0000107
Secondary Accession Numbers
  • HMDB00107
Metabolite Identification
Common NameGalactitol
DescriptionGalactitol or dulcitol is a sugar alcohol that is a metabolic breakdown product of galactose. Galactose is derived from lactose in food (such as dairy products). When lactose is broken down by the enzyme lactase it produces glucose and galactose. Galactitol has a slightly sweet taste. It is produced from galactose in a reaction catalyzed by aldose reductase. When present in sufficiently high levels, galactitol can act as a metabotoxin, a neurotoxin, and a hepatotoxin. A neurotoxin is a compound that disrupts or attacks neural cells and neural tissue. A hepatotoxin as a compound that disrupts or attacks liver tissue or liver cells. A metabotoxin is an endogenously produced metabolite that causes adverse health effects at chronically high levels. Chronically high levels of galactitol are associated with at least two inborn errors of metabolism, including galactosemia and galactosemia type II. Galactosemia is a rare genetic metabolic disorder that affects an individual's ability to metabolize the sugar galactose properly. Excess lactose consumption in individuals with galactose intolerance or galactosemia activates aldose reductase to produce galactitol, thus depleting NADPH and leading to lowered glutathione reductase activity. As a result, hydrogen peroxide or other free radicals accumulate causing serious oxidative damage to various cells and tissues. In individuals with galactosemia, the enzymes needed for the further metabolism of galactose (galactose-1-phosphate uridyltransferase) are severely diminished or missing entirely, leading to toxic levels of galactose 1-phosphate, galactitol, and galactonate. High levels of galactitol in infants are specifically associated with hepatomegaly (an enlarged liver), cirrhosis, renal failure, cataracts, vomiting, seizure, hypoglycemia, lethargy, brain damage, and ovarian failure.
Structure
Data?1676999671
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000107 (Galactitol)


  Mrv1652303202019002D          

 12 11  0  0  1  0            999 V2000
   13.6187   -7.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9043   -9.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3332   -9.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1899   -7.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620   -8.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7610   -8.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6187   -8.5741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9043   -8.9867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3332   -8.9867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1899   -8.5741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0475   -8.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4755   -8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  8  2  1  6  0  0  0
  9  3  1  1  0  0  0
 10  4  1  6  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000107 (Galactitol)

HMDB0000107
     RDKit          3D
Galactitol
 26 25  0  0  0  0  0  0  0  0999 V2000
   -3.9342    0.3703    0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.8099   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -0.3824   -0.4129 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8250   -1.3518    0.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361   -0.0203   -0.6970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2501    0.9608   -1.6747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111    0.3464    0.5526 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3255   -0.6494    1.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687    0.6531    0.3357 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0961    1.6352   -0.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -0.5624    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154   -1.0954   -1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1472   -0.3675   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987    1.2674    0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521    1.5543   -0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823   -0.8001   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -2.2276    0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1168   -0.9422   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073    0.5552   -2.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518    1.2540    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993   -1.5222    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    1.0484    1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534    2.4243   -0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7715   -0.2730    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -1.3235    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -1.3613   -1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  5 18  1  6
  6 19  1  0
  7 20  1  1
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END
Download

3D SDF for HMDB0000107 (Galactitol)


  Mrv1652303202019002D          

 12 11  0  0  1  0            999 V2000
   13.6187   -7.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9043   -9.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3332   -9.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1899   -7.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7620   -8.9867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7610   -8.5741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6187   -8.5741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9043   -8.9867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3332   -8.9867    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1899   -8.5741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.0475   -8.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4755   -8.9867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  8  2  1  6  0  0  0
  9  3  1  1  0  0  0
 10  4  1  6  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000107

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-

> <INCHI_KEY>
FBPFZTCFMRRESA-GUCUJZIJSA-N

> <FORMULA>
C6H14O6

> <MOLECULAR_WEIGHT>
182.1718

> <EXACT_MASS>
182.07903818

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.246117178806152

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-3.7300188486666666

> <ALOGPS_LOGS>
0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.37874915684328

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.585200956788803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974211614825128

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
38.403600000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galactitol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000107 (Galactitol)

HMDB0000107
     RDKit          3D
Galactitol
 26 25  0  0  0  0  0  0  0  0999 V2000
   -3.9342    0.3703    0.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6187    0.8099   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7779   -0.3824   -0.4129 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8250   -1.3518    0.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3361   -0.0203   -0.6970 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2501    0.9608   -1.6747 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4111    0.3464    0.5526 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3255   -0.6494    1.5224 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8687    0.6531    0.3357 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0961    1.6352   -0.6265 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7032   -0.5624    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4154   -1.0954   -1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1472   -0.3675   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2987    1.2674    0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5521    1.5543   -0.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1823   -0.8001   -1.3725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147   -2.2276    0.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1168   -0.9422   -1.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073    0.5552   -2.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0518    1.2540    1.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993   -1.5222    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    1.0484    1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5534    2.4243   -0.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7715   -0.2730    0.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -1.3235    0.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -1.3613   -1.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  5 18  1  6
  6 19  1  0
  7 20  1  1
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END
Download

PDB for HMDB0000107 (Galactitol)

HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  O   UNK     0      25.422 -14.465   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      24.088 -18.315   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      26.755 -18.315   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      22.754 -14.465   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      29.422 -16.775   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      20.087 -16.005   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      25.422 -16.005   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      24.088 -16.775   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      26.755 -16.775   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.754 -16.005   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      28.089 -16.005   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.421 -16.775   0.000  0.00  0.00           C+0
CONECT    1    7                                                            
CONECT    2    8                                                            
CONECT    3    9                                                            
CONECT    4   10                                                            
CONECT    5   11                                                            
CONECT    6   12                                                            
CONECT    7    1    8    9                                                  
CONECT    8    2    7   10                                                  
CONECT    9    3    7   11                                                  
CONECT   10    4    8   12                                                  
CONECT   11    5    9                                                       
CONECT   12    6   10                                                       
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0000107 (Galactitol)

COMPND    HMDB0000107
HETATM    1  O1  UNL     1      -3.934   0.370   0.074  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.619   0.810  -0.066  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.778  -0.382  -0.413  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.825  -1.352   0.555  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.336  -0.020  -0.697  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.250   0.961  -1.675  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.411   0.346   0.553  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.326  -0.649   1.522  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.869   0.653   0.336  1.00  0.00           C  
HETATM   10  O5  UNL     1       2.096   1.635  -0.627  1.00  0.00           O  
HETATM   11  C6  UNL     1       2.703  -0.562   0.061  1.00  0.00           C  
HETATM   12  O6  UNL     1       2.415  -1.095  -1.186  1.00  0.00           O  
HETATM   13  H1  UNL     1      -4.147  -0.367  -0.563  1.00  0.00           H  
HETATM   14  H2  UNL     1      -2.299   1.267   0.901  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.552   1.554  -0.892  1.00  0.00           H  
HETATM   16  H4  UNL     1      -2.182  -0.800  -1.372  1.00  0.00           H  
HETATM   17  H5  UNL     1      -1.715  -2.228   0.135  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.117  -0.942  -1.110  1.00  0.00           H  
HETATM   19  H7  UNL     1      -0.107   0.555  -2.572  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.052   1.254   1.050  1.00  0.00           H  
HETATM   21  H9  UNL     1       0.499  -1.522   1.092  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.240   1.048   1.338  1.00  0.00           H  
HETATM   23  H11 UNL     1       1.553   2.424  -0.370  1.00  0.00           H  
HETATM   24  H12 UNL     1       3.772  -0.273   0.160  1.00  0.00           H  
HETATM   25  H13 UNL     1       2.517  -1.324   0.857  1.00  0.00           H  
HETATM   26  H14 UNL     1       3.278  -1.361  -1.625  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   14   15
CONECT    3    4    5   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   24   25
CONECT   12   26
END
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SMILES for HMDB0000107 (Galactitol)

OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
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INCHI for HMDB0000107 (Galactitol)

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(2R,3S,4R,5S)-Hexane-1,2,3,4,5,6-hexolChEBI
D-DulcitolChEBI
D-GalactitolChEBI
DulcitolChEBI
DulcoseChEBI
EuonymitChEBI
L-GalactitolChEBI
MelampyrinChEBI
MelampyritChEBI
Ambap5938HMDB
DulciteHMDB
HexitolHMDB
MelampyriteHMDB
MelampyrumHMDB
meso-GalactitolHMDB
Chemical FormulaC6H14O6
Average Molecular Weight182.1718
Monoisotopic Molecular Weight182.07903818
IUPAC Name(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol
Traditional Namegalactitol
CAS Registry Number608-66-2
SMILES
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO
InChI Identifier
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
InChI KeyFBPFZTCFMRRESA-GUCUJZIJSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar alcohols
Alternative Parents
Substituents
  • Sugar alcohol
  • Monosaccharide
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial applicationIndirect biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point189.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility31 mg/mL at 15 °CYALKOWSKY,SH & DANNENFELSER,RM (1992)
LogP-3.10HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available130.2http://allccs.zhulab.cn/database/detail?ID=AllCCS00000371
Predicted Molecular Properties
PropertyValueSource
Water Solubility229 g/LALOGPS
logP-2.7ALOGPS
logP-3.7ChemAxon
logS0.1ALOGPS
pKa (Strongest Acidic)12.59ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.4 m³·mol⁻¹ChemAxon
Polarizability17.25 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+139.71431661259
DarkChem[M-H]-135.03831661259
AllCCS[M+H]+141.59732859911
AllCCS[M-H]-132.92532859911
DeepCCS[M+H]+146.5330932474
DeepCCS[M-H]-144.13530932474
DeepCCS[M-2H]-177.30230932474
DeepCCS[M+Na]+152.44330932474
AllCCS[M+H]+141.632859911
AllCCS[M+H-H2O]+137.832859911
AllCCS[M+NH4]+145.132859911
AllCCS[M+Na]+146.132859911
AllCCS[M-H]-132.932859911
AllCCS[M+Na-2H]-134.432859911
AllCCS[M+HCOO]-136.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GalactitolOC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO3157.9Standard polar33892256
GalactitolOC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO2029.1Standard non polar33892256
GalactitolOC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO1780.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Galactitol,1TMS,isomer #1C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO1776.6Semi standard non polar33892256
Galactitol,1TMS,isomer #2C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO1732.3Semi standard non polar33892256
Galactitol,1TMS,isomer #3C[Si](C)(C)O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO1715.4Semi standard non polar33892256
Galactitol,1TMS,isomer #4C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO1715.4Semi standard non polar33892256
Galactitol,1TMS,isomer #5C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)CO1732.3Semi standard non polar33892256
Galactitol,1TMS,isomer #6C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO1776.6Semi standard non polar33892256
Galactitol,2TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO1810.5Semi standard non polar33892256
Galactitol,2TMS,isomer #10C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C)[C@@H](O)CO1751.7Semi standard non polar33892256
Galactitol,2TMS,isomer #11C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1778.2Semi standard non polar33892256
Galactitol,2TMS,isomer #12C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1794.2Semi standard non polar33892256
Galactitol,2TMS,isomer #13C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO1776.7Semi standard non polar33892256
Galactitol,2TMS,isomer #14C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO1791.6Semi standard non polar33892256
Galactitol,2TMS,isomer #15C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@@H](O)CO1810.5Semi standard non polar33892256
Galactitol,2TMS,isomer #2C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1791.6Semi standard non polar33892256
Galactitol,2TMS,isomer #3C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1794.2Semi standard non polar33892256
Galactitol,2TMS,isomer #4C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1824.6Semi standard non polar33892256
Galactitol,2TMS,isomer #5C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C1833.2Semi standard non polar33892256
Galactitol,2TMS,isomer #6C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1776.7Semi standard non polar33892256
Galactitol,2TMS,isomer #7C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1778.2Semi standard non polar33892256
Galactitol,2TMS,isomer #8C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1801.6Semi standard non polar33892256
Galactitol,2TMS,isomer #9C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C1824.6Semi standard non polar33892256
Galactitol,3TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO1833.7Semi standard non polar33892256
Galactitol,3TMS,isomer #10C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1875.8Semi standard non polar33892256
Galactitol,3TMS,isomer #11C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1833.0Semi standard non polar33892256
Galactitol,3TMS,isomer #12C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1834.9Semi standard non polar33892256
Galactitol,3TMS,isomer #13C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1855.8Semi standard non polar33892256
Galactitol,3TMS,isomer #14C[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1834.9Semi standard non polar33892256
Galactitol,3TMS,isomer #15C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C1844.6Semi standard non polar33892256
Galactitol,3TMS,isomer #16C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C1863.9Semi standard non polar33892256
Galactitol,3TMS,isomer #17C[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO1833.0Semi standard non polar33892256
Galactitol,3TMS,isomer #18C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO1836.3Semi standard non polar33892256
Galactitol,3TMS,isomer #19C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)CO1852.4Semi standard non polar33892256
Galactitol,3TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO1852.4Semi standard non polar33892256
Galactitol,3TMS,isomer #20C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)CO1833.7Semi standard non polar33892256
Galactitol,3TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1863.9Semi standard non polar33892256
Galactitol,3TMS,isomer #4C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C1875.8Semi standard non polar33892256
Galactitol,3TMS,isomer #5C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1836.3Semi standard non polar33892256
Galactitol,3TMS,isomer #6C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1844.6Semi standard non polar33892256
Galactitol,3TMS,isomer #7C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1859.1Semi standard non polar33892256
Galactitol,3TMS,isomer #8C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1855.8Semi standard non polar33892256
Galactitol,3TMS,isomer #9C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1859.1Semi standard non polar33892256
Galactitol,4TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO1880.0Semi standard non polar33892256
Galactitol,4TMS,isomer #10C[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1894.2Semi standard non polar33892256
Galactitol,4TMS,isomer #11C[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1852.9Semi standard non polar33892256
Galactitol,4TMS,isomer #12C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1865.0Semi standard non polar33892256
Galactitol,4TMS,isomer #13C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1875.4Semi standard non polar33892256
Galactitol,4TMS,isomer #14C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C1872.6Semi standard non polar33892256
Galactitol,4TMS,isomer #15C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)CO1880.0Semi standard non polar33892256
Galactitol,4TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C1872.6Semi standard non polar33892256
Galactitol,4TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C1894.2Semi standard non polar33892256
Galactitol,4TMS,isomer #4C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1875.4Semi standard non polar33892256
Galactitol,4TMS,isomer #5C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1890.0Semi standard non polar33892256
Galactitol,4TMS,isomer #6C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1903.4Semi standard non polar33892256
Galactitol,4TMS,isomer #7C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1865.0Semi standard non polar33892256
Galactitol,4TMS,isomer #8C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1880.4Semi standard non polar33892256
Galactitol,4TMS,isomer #9C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1890.0Semi standard non polar33892256
Galactitol,5TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C1905.0Semi standard non polar33892256
Galactitol,5TMS,isomer #2C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C1877.2Semi standard non polar33892256
Galactitol,5TMS,isomer #3C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1895.0Semi standard non polar33892256
Galactitol,5TMS,isomer #4C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1895.0Semi standard non polar33892256
Galactitol,5TMS,isomer #5C[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1877.2Semi standard non polar33892256
Galactitol,5TMS,isomer #6C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO)O[Si](C)(C)C1905.0Semi standard non polar33892256
Galactitol,6TMS,isomer #1C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C1979.4Semi standard non polar33892256
Galactitol,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO2030.5Semi standard non polar33892256
Galactitol,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)CO1981.0Semi standard non polar33892256
Galactitol,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)CO1960.1Semi standard non polar33892256
Galactitol,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)CO1960.1Semi standard non polar33892256
Galactitol,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)CO1981.0Semi standard non polar33892256
Galactitol,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO2030.5Semi standard non polar33892256
Galactitol,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO2252.8Semi standard non polar33892256
Galactitol,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2225.9Semi standard non polar33892256
Galactitol,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2240.9Semi standard non polar33892256
Galactitol,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2249.2Semi standard non polar33892256
Galactitol,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO2239.9Semi standard non polar33892256
Galactitol,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)CO2239.5Semi standard non polar33892256
Galactitol,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@@H](O)CO2252.8Semi standard non polar33892256
Galactitol,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2239.5Semi standard non polar33892256
Galactitol,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2249.2Semi standard non polar33892256
Galactitol,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2274.2Semi standard non polar33892256
Galactitol,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2274.6Semi standard non polar33892256
Galactitol,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO2239.9Semi standard non polar33892256
Galactitol,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2240.9Semi standard non polar33892256
Galactitol,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2257.3Semi standard non polar33892256
Galactitol,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2274.2Semi standard non polar33892256
Galactitol,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[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](O)CO2488.3Semi standard non polar33892256
Galactitol,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2524.3Semi standard non polar33892256
Galactitol,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[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](O)CO2514.6Semi standard non polar33892256
Galactitol,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2535.7Semi standard non polar33892256
Galactitol,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2541.7Semi standard non polar33892256
Galactitol,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)O[C@@H](CO)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2535.7Semi standard non polar33892256
Galactitol,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2550.6Semi standard non polar33892256
Galactitol,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)[C@H](CO)O[Si](C)(C)C(C)(C)C2537.9Semi standard non polar33892256
Galactitol,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)O[C@@H]([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2514.6Semi standard non polar33892256
Galactitol,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2510.6Semi standard non polar33892256
Galactitol,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2515.2Semi standard non polar33892256
Galactitol,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2515.2Semi standard non polar33892256
Galactitol,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC[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](O)CO2488.3Semi standard non polar33892256
Galactitol,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2537.9Semi standard non polar33892256
Galactitol,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2524.3Semi standard non polar33892256
Galactitol,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2510.6Semi standard non polar33892256
Galactitol,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C2550.6Semi standard non polar33892256
Galactitol,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C2534.5Semi standard non polar33892256
Galactitol,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2541.7Semi standard non polar33892256
Galactitol,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2534.5Semi standard non polar33892256
Galactitol,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO2735.0Semi standard non polar33892256
Galactitol,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2754.9Semi standard non polar33892256
Galactitol,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)O[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](CO)O[Si](C)(C)C(C)(C)C2743.5Semi standard non polar33892256
Galactitol,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2755.4Semi standard non polar33892256
Galactitol,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2759.0Semi standard non polar33892256
Galactitol,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC[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](CO)O[Si](C)(C)C(C)(C)C2760.7Semi standard non polar33892256
Galactitol,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO2735.0Semi standard non polar33892256
Galactitol,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[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](CO)O[Si](C)(C)C(C)(C)C2760.7Semi standard non polar33892256
Galactitol,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[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](O)CO[Si](C)(C)C(C)(C)C2754.9Semi standard non polar33892256
Galactitol,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2759.0Semi standard non polar33892256
Galactitol,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2767.4Semi standard non polar33892256
Galactitol,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2767.7Semi standard non polar33892256
Galactitol,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2755.4Semi standard non polar33892256
Galactitol,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2756.0Semi standard non polar33892256
Galactitol,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2767.4Semi standard non polar33892256
Galactitol,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C2965.2Semi standard non polar33892256
Galactitol,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C2966.5Semi standard non polar33892256
Galactitol,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[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](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2957.9Semi standard non polar33892256
Galactitol,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2957.9Semi standard non polar33892256
Galactitol,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2966.5Semi standard non polar33892256
Galactitol,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO)O[Si](C)(C)C(C)(C)C2965.2Semi standard non polar33892256
Galactitol,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3191.2Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Galactitol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-014j-0941000000-61141f9f2ddc66e0b0162014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Galactitol GC-MS (6 TMS)splash10-0gb9-1983000000-0a0dafcfea843fbb3c722014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Galactitol GC-EI-TOF (Non-derivatized)splash10-014j-0941000000-61141f9f2ddc66e0b0162017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Galactitol GC-MS (Non-derivatized)splash10-0gb9-1983000000-0a0dafcfea843fbb3c722017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (Non-derivatized) - 70eV, Positivesplash10-03k9-9400000000-7a0f08ea65cbca1920f52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (6 TMS) - 70eV, Positivesplash10-0a6s-7141193000-dcd9245e12314ee0ced42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Galactitol GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Quattro_QQQ 10V, N/A-QTOF (Annotated)splash10-005a-5900000000-35da0de23de5b9170aed2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Quattro_QQQ 25V, N/A-QTOF (Annotated)splash10-0a4i-9000000000-552b84764ceb9b497a7e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Quattro_QQQ 40V, N/A-QTOF (Annotated)splash10-052f-9000000000-dfb4eef021d94d5145882012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol QqQ 4V, negative-QTOFsplash10-001i-0900000000-028ff289dc870279e2182020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol QqQ 8V, negative-QTOFsplash10-001i-1900000000-a99ee988b2a1bbab91372020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol QqQ 12V, negative-QTOFsplash10-0uyr-6900000000-04315425478b660c89472020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol QqQ 16V, negative-QTOFsplash10-0kg9-9400000000-54350b0516f39f8c9b502020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol QqQ 20V, negative-QTOFsplash10-0abi-9100000000-b4cf2b00830b765d5dcb2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-0089-9000000000-20463a683f8ab7aa9e4d2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-0a4i-9000000000-5c4795e954d5c3e9b74e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-0udi-0900000000-43b7e571c1185de1e99b2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-00di-9000000000-160eaf7ef39d088537382020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-0udi-3900000000-3114e2bfe0cdbc68be192020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-000j-9000000000-635a869063bea88c00912020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-0uk9-3900000000-2ecc694b3a9844ec3ee52020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 3V, negative-QTOFsplash10-03di-0900000000-61d17fd37e0e3ac16e372020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 4V, negative-QTOFsplash10-03di-1900000000-90b308bca6baee5ab0182020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 5V, negative-QTOFsplash10-0ik9-2900000000-eb87481835668a3b0d3d2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 6V, negative-QTOFsplash10-0w29-5900000000-a78bc11bf7d88c2b913e2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 7V, negative-QTOFsplash10-0udi-8900000000-0ae9e05f3f4517635bba2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 9V, negative-QTOFsplash10-0zmi-9500000000-4156ee30d358f68b25902020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-0udi-3900000000-0370fdfaee1df82b525d2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-05fr-9000000000-9699f16da2c5fbaef32d2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol n/a 12V, negative-QTOFsplash10-000j-9000000000-0a119385f247c8ed7ae42020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Galactitol Orbitrap 2V, negative-QTOFsplash10-014i-0490000000-403aabe62ebe0fa60ab32020-07-22HMDB team, MONAView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Amniotic Fluid
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Erythrocyte
  • Eye Lens
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Amniotic FluidDetected and Quantified0.7 +/- 0.18 uMNot SpecifiedBothNormal details
BloodDetected and Quantified0.82 (0.05 - 2.63) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.36 (0.23-0.48) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1.65 +/- 0.44 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1.82 (1.17-2.47) uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified19.44 +/- 4.95 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
UrineDetected and Quantified42 (3-81) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified3.7 (0.0-12.0) umol/mmol creatinineAdult (>18 years old)Both
Normal
    • Geigy Scientific ...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified0-30 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
Amniotic FluidDetected and Quantified7.96 uMAdult (>18 years old)BothGalactosemia details
BloodDetected and Quantified11.63 +/- 0.46 uMAdult (>18 years old)Both
Galactosemia		 details
Cerebrospinal Fluid (CSF)Detected and Quantified1.65 +/- 0.22 uMAdult (>18 years old)BothAlzheimer's disease details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable bowel syndrome		 details
UrineDetected and Quantified38500 (8000-69000) umol/mmol creatinineAdult (>18 years old)BothGalactosemia details
UrineDetected and Quantified472.5 (45-900) umol/mmol creatinineAdult (>18 years old)Both
Galactosemia		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
Associated Disorders and Diseases
Disease References
Alzheimer's disease
  1. Shetty HU, Holloway HW, Schapiro MB: Cerebrospinal fluid and plasma distribution of myo-inositol and other polyols in Alzheimer disease. Clin Chem. 1996 Feb;42(2):298-302. [PubMed:8595727 ]
Irritable bowel syndrome
  1. Ponnusamy K, Choi JN, Kim J, Lee SY, Lee CH: Microbial community and metabolomic comparison of irritable bowel syndrome faeces. J Med Microbiol. 2011 Jun;60(Pt 6):817-27. doi: 10.1099/jmm.0.028126-0. Epub 2011 Feb 17. [PubMed:21330412 ]
Galactosemia
  1. Jakobs C, Schweitzer S, Dorland B: Galactitol in galactosemia. Eur J Pediatr. 1995;154(7 Suppl 2):S50-2. [PubMed:7671965 ]
  2. Ning C, Segal S: Plasma galactose and galactitol concentration in patients with galactose-1-phosphate uridyltransferase deficiency galactosemia: determination by gas chromatography/mass spectrometry. Metabolism. 2000 Nov;49(11):1460-6. [PubMed:11092512 ]
  3. Jakobs C, Warner TG, Sweetman L, Nyhan WL: Stable isotope dilution analysis of galactitol in amniotic fluid: an accurate approach to the prenatal diagnosis of galactosemia. Pediatr Res. 1984 Aug;18(8):714-8. [PubMed:6433315 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB006453
KNApSAcK IDC00001160
Chemspider ID11357
KEGG Compound IDC01697
BioCyc IDNot Available
BiGG ID38183
Wikipedia LinkGalactitol
METLIN ID5148
PubChem Compound11850
PDB IDNot Available
ChEBI ID16813
Food Biomarker OntologyNot Available
VMH IDGALT
MarkerDB IDNot Available
Good Scents IDrw1306661
References
Synthesis ReferenceMuniruzzaman, Syed; Itoh, Hiromichi; Yoshino, Akira; Katayama, Takeshi; Izumori, Ken. Biotransformation of lactose to galactitol. Journal of Fermentation and Bioengineering (1994), 77(1), 32-5.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Ning C, Segal S: Plasma galactose and galactitol concentration in patients with galactose-1-phosphate uridyltransferase deficiency galactosemia: determination by gas chromatography/mass spectrometry. Metabolism. 2000 Nov;49(11):1460-6. [PubMed:11092512 ]
  2. Jakobs C, Warner TG, Sweetman L, Nyhan WL: Stable isotope dilution analysis of galactitol in amniotic fluid: an accurate approach to the prenatal diagnosis of galactosemia. Pediatr Res. 1984 Aug;18(8):714-8. [PubMed:6433315 ]
  3. Ning C, Reynolds R, Chen J, Yager C, Berry GT, McNamara PD, Leslie N, Segal S: Galactose metabolism by the mouse with galactose-1-phosphate uridyltransferase deficiency. Pediatr Res. 2000 Aug;48(2):211-7. [PubMed:10926297 ]
  4. Budde M, Gusek-Schneider GC, Junemann A, Jansen F, Shin YS: [Familial cataract in plasma galactitol increase without known enzyme defect]. Klin Monbl Augenheilkd. 1999 Oct;215(4):255-7. [PubMed:10572890 ]
  5. Berry GT, Hunter JV, Wang Z, Dreha S, Mazur A, Brooks DG, Ning C, Zimmerman RA, Segal S: In vivo evidence of brain galactitol accumulation in an infant with galactosemia and encephalopathy. J Pediatr. 2001 Feb;138(2):260-2. [PubMed:11174626 ]
  6. Pettit BR, King GS, Blau K: The analysis of hexitols in biological fluid by selected ion monitoring. Biomed Mass Spectrom. 1980 Jul;7(7):309-13. [PubMed:7448335 ]
  7. Ficicioglu C, Yager C, Segal S: Galactitol and galactonate in red blood cells of children with the Duarte/galactosemia genotype. Mol Genet Metab. 2005 Feb;84(2):152-9. Epub 2004 Dec 9. [PubMed:15670721 ]
  8. Jakobs C, Schweitzer S, Dorland B: Galactitol in galactosemia. Eur J Pediatr. 1995;154(7 Suppl 2):S50-2. [PubMed:7671965 ]
  9. Roboz J, Kappatos DC, Greaves J, Holland JF: Determination of polyols in serum by selected ion monitoring. Clin Chem. 1984 Oct;30(10):1611-5. [PubMed:6434200 ]
  10. Airey CM, Price DE, Kemp JV, Perkins CM, Wales JK: The effect of aldose reductase inhibition on erythrocyte polyols and galactitol accumulation in diabetic patients. Diabet Med. 1989 Dec;6(9):804-8. [PubMed:2533041 ]
  11. Schwarz HP, Schaefer T, Bachmann C: Galactose and galactitol in the urine of children with compound heterozygosity for Duarte variant and classical galactosemia (GtD/gt) after an oral galactose load. Clin Chem. 1985 Mar;31(3):420-2. [PubMed:3971562 ]
  12. Arola H, Sillanaukee P, Aine E, Koivula T, Isokoski M: Galactitol is not a cause of senile cataract. Graefes Arch Clin Exp Ophthalmol. 1992;230(3):240-2. [PubMed:1597290 ]
  13. Allen JT, Holton JB, Gillett MG: Gas-liquid chromatographic determination of galactitol in amniotic fluid for possible use in prenatal diagnosis of galactosaemia. Clin Chim Acta. 1981 Feb 19;110(1):59-63. [PubMed:7214715 ]
  14. Shetty HU, Holloway HW, Rapoport SI: Capillary gas chromatography combined with ion trap detection for quantitative profiling of polyols in cerebrospinal fluid and plasma. Anal Biochem. 1995 Jan 1;224(1):279-85. [PubMed:7710082 ]
  15. Berry GT, Palmieri M, Gross KC, Acosta PB, Henstenburg JA, Mazur A, Reynolds R, Segal S: The effect of dietary fruits and vegetables on urinary galactitol excretion in galactose-1-phosphate uridyltransferase deficiency. J Inherit Metab Dis. 1993;16(1):91-100. [PubMed:8487507 ]

Enzymes

Enzyme Details
1. Aldose reductase
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
Gene Name:
AKR1B1
Uniprot ID:
P15121
Molecular weight:
35853.125
Reactions
beta-D-Galactose + NADH + Hydrogen Ion → Galactitol + NADdetails
beta-D-Galactose + NADPH + Hydrogen Ion → Galactitol + NADPdetails
Enzyme Details
2. Aldo-keto reductase family 1 member B10
General function:
Not Available
Specific function:
Acts as all-trans-retinaldehyde reductase. Can efficiently reduce aliphatic and aromatic aldehydes, and is less active on hexoses (in vitro). May be responsible for detoxification of reactive aldehydes in the digested food before the nutrients are passed on to other organs.
Gene Name:
AKR1B10
Uniprot ID:
O60218
Molecular weight:
Not Available
Reactions
beta-D-Galactose + NADH + Hydrogen Ion → Galactitol + NADdetails
beta-D-Galactose + NADPH + Hydrogen Ion → Galactitol + NADPdetails