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Showing NP-Card for D-Galactose (NP0000923)

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Record Information
Version2.0
Created at2005-11-16 15:48:42 UTC
Updated at2022-01-20 20:28:29 UTC
NP-MRD IDNP0000923
Secondary Accession NumbersNone
Natural Product Identification
Common NameD-Galactose
DescriptionD-Galactose is an aldohexose that occurs naturally in the D-form in lactose, cerebrosides, gangliosides, and mucoproteins. D-Galactose is an energy-providing nutrient and also a necessary basic substrate for the biosynthesis of many macromolecules in the body. Metabolic pathways for D-Galactose are important not only for the provision of these pathways but also for the prevention of D-Galactose and D-Galactose metabolite accumulation. The main source of D-Galactose is lactose in the milk of mammals, but it can also be found in some fruits and vegetables. Utilization of D-Galactose in all living cells is initiated by the phosphorylation of the hexose by the enzyme galactokinase (E.C. 2.7.1.6) (GALK) to form D-Galactose-1-phosphate. In the presence of D-Galactose-1-phosphate uridyltransferase (E.C. 2.7.7.12) (GALT) D-Galactose-1-phosphate is exchanged with glucose-1-phosphate in UDP-glucose to form UDP-galactose. Glucose-1-phosphate will then enter the glycolytic pathway for energy production. Deficiency of the enzyme GALT in galactosemic patients leads to the accumulation of D-Galactose-1-phosphate. Classic galactosemia-a term that denotes the presence of D-Galactose in the blood is the rare inborn error of D-Galactose metabolism, diagnosed by the deficiency of the second enzyme of the D-Galactose assimilation pathway, GALT, which, in turn, is caused by mutations at the GALT gene. (PMID: 15256214 , 11020650 , 10408771 ). Galactose in the urine is a biomarker for the consumption of milk.
Structure
Data?1628564082
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000923 (D-Galactose)


  Mrv1652306192120413D          

 24 24  0  0  0  0            999 V2000
    1.6285    1.9337   -4.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    2.1671   -3.1048 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5338    1.2822   -2.0597 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7555   -0.0898   -2.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.0404   -1.5626 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2186   -0.9507   -1.5736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048   -0.8644   -0.1205 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0206   -1.7533    0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4669    0.5726    0.3504 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0925    0.7651    1.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0561    1.5711   -0.6448 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4873    1.4721   -0.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7019    0.9705   -4.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    3.2283   -2.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    1.9360   -3.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4524    1.4641   -2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4657   -2.0449   -1.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4824   -1.2937   -2.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733   -1.1006   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868   -1.7579    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954    0.7586    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494   -0.0235    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074    2.5953   -0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7080    1.4725    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
  2  1  1  0  0  0  0
  7  5  1  0  0  0  0
  5 17  1  6  0  0  0
  5  6  1  0  0  0  0
  3  2  1  0  0  0  0
  6 18  1  0  0  0  0
 12 24  1  0  0  0  0
 11 23  1  1  0  0  0
  9 21  1  1  0  0  0
 10 22  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  1  0  0  0
  1 13  1  0  0  0  0
M  END
Download

3D MOL for NP0000923 (D-Galactose)

HMDB0000143
     RDKit          3D
D-Galactose
 24 24  0  0  0  0  0  0  0  0999 V2000
   -3.1525    0.2915   -0.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5296    0.0579    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -0.1456    0.2277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6885   -1.2102   -0.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6286   -1.5392   -0.2810 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6674   -1.8357    1.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -0.4268   -0.5485 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8432   -0.8405   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571    0.8241    0.1443 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9527    1.9110   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076    1.0708   -0.2378 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3051    1.1665   -1.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1139    0.0038   -0.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9562   -0.8760    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    0.8571    1.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730   -0.3698    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813   -2.4619   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -2.6170    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -0.2519   -1.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -0.5103    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224    0.5902    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    2.2000    0.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.0072    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126    2.1047   -1.8670 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
  4  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
 11  3  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  1
  5 17  1  6
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  1
 12 24  1  0
M  END
Download

3D SDF for NP0000923 (D-Galactose)


  Mrv1652306192120413D          

 24 24  0  0  0  0            999 V2000
    1.6285    1.9337   -4.3861 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2207    2.1671   -3.1048 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5338    1.2822   -2.0597 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7555   -0.0898   -2.4581 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2034   -1.0404   -1.5626 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2186   -0.9507   -1.5736 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7048   -0.8644   -0.1205 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0206   -1.7533    0.7813 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4669    0.5726    0.3504 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0925    0.7651    1.6319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0561    1.5711   -0.6448 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4873    1.4721   -0.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7019    0.9705   -4.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1040    3.2283   -2.8663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870    1.9360   -3.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4524    1.4641   -2.1054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4657   -2.0449   -1.9123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4824   -1.2937   -2.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7733   -1.1006   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0868   -1.7579    0.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3954    0.7586    0.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494   -0.0235    2.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074    2.5953   -0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7080    1.4725    0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  9  1  0  0  0  0
 11  9  1  0  0  0  0
 11  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
 11 12  1  0  0  0  0
  9 10  1  0  0  0  0
  7  8  1  0  0  0  0
  2  1  1  0  0  0  0
  7  5  1  0  0  0  0
  5 17  1  6  0  0  0
  5  6  1  0  0  0  0
  3  2  1  0  0  0  0
  6 18  1  0  0  0  0
 12 24  1  0  0  0  0
 11 23  1  1  0  0  0
  9 21  1  1  0  0  0
 10 22  1  0  0  0  0
  7 19  1  6  0  0  0
  8 20  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 16  1  1  0  0  0
  1 13  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000923

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1

> <INCHI_KEY>
WQZGKKKJIJFFOK-PHYPRBDBSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.129783718715995

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-2.932539218

> <ALOGPS_LOGS>
0.64

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.687538461190869

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.298101552080594

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810792051782764

> <JCHEM_POLAR_SURFACE_AREA>
110.38000000000001

> <JCHEM_REFRACTIVITY>
35.9234

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.82e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
galactose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000923 (D-Galactose)

HMDB0000143
     RDKit          3D
D-Galactose
 24 24  0  0  0  0  0  0  0  0999 V2000
   -3.1525    0.2915   -0.8553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5296    0.0579    0.3519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0485   -0.1456    0.2277 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6885   -1.2102   -0.5649 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6286   -1.5392   -0.2810 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6674   -1.8357    1.1004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -0.4268   -0.5485 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8432   -0.8405   -0.0380 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1571    0.8241    0.1443 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9527    1.9110   -0.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3076    1.0708   -0.2378 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3051    1.1665   -1.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1139    0.0038   -0.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9562   -0.8760    0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6957    0.8571    1.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6730   -0.3698    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8813   -2.4619   -0.8229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -2.6170    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6736   -0.2519   -1.6489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9448   -0.5103    0.9006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224    0.5902    1.2478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    2.2000    0.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6276    2.0072    0.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0126    2.1047   -1.8670 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
  4  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
 11  3  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  1
  5 17  1  6
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  1
 12 24  1  0
M  END
Download

PDB for NP0000923 (D-Galactose)

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  O   UNK     0       1.629   1.934  -4.386  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.221   2.167  -3.105  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.534   1.282  -2.060  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.756  -0.090  -2.458  0.00  0.00           O+0
HETATM    5  C   UNK     0       1.203  -1.040  -1.563  0.00  0.00           C+0
HETATM    6  O   UNK     0      -0.219  -0.951  -1.574  0.00  0.00           O+0
HETATM    7  C   UNK     0       1.705  -0.864  -0.121  0.00  0.00           C+0
HETATM    8  O   UNK     0       1.021  -1.753   0.781  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.467   0.573   0.350  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.092   0.765   1.632  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.056   1.571  -0.645  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.487   1.472  -0.597  0.00  0.00           O+0
HETATM   13  H   UNK     0       1.702   0.971  -4.526  0.00  0.00           H+0
HETATM   14  H   UNK     0       2.104   3.228  -2.866  0.00  0.00           H+0
HETATM   15  H   UNK     0       3.287   1.936  -3.195  0.00  0.00           H+0
HETATM   16  H   UNK     0       0.452   1.464  -2.105  0.00  0.00           H+0
HETATM   17  H   UNK     0       1.466  -2.045  -1.912  0.00  0.00           H+0
HETATM   18  H   UNK     0      -0.482  -1.294  -2.446  0.00  0.00           H+0
HETATM   19  H   UNK     0       2.773  -1.101  -0.058  0.00  0.00           H+0
HETATM   20  H   UNK     0       0.087  -1.758   0.487  0.00  0.00           H+0
HETATM   21  H   UNK     0       0.395   0.759   0.490  0.00  0.00           H+0
HETATM   22  H   UNK     0       1.849  -0.024   2.159  0.00  0.00           H+0
HETATM   23  H   UNK     0       1.807   2.595  -0.344  0.00  0.00           H+0
HETATM   24  H   UNK     0       3.708   1.472   0.358  0.00  0.00           H+0
CONECT    1    2   13                                                       
CONECT    2    1    3   14   15                                             
CONECT    3   11    4    2   16                                             
CONECT    4    3    5                                                       
CONECT    5    4    7   17    6                                             
CONECT    6    5   18                                                       
CONECT    7    9    8    5   19                                             
CONECT    8    7   20                                                       
CONECT    9    7   11   10   21                                             
CONECT   10    9   22                                                       
CONECT   11    9    3   12   23                                             
CONECT   12   11   24                                                       
CONECT   13    1                                                            
CONECT   14    2                                                            
CONECT   15    2                                                            
CONECT   16    3                                                            
CONECT   17    5                                                            
CONECT   18    6                                                            
CONECT   19    7                                                            
CONECT   20    8                                                            
CONECT   21    9                                                            
CONECT   22   10                                                            
CONECT   23   11                                                            
CONECT   24   12                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END
Download

3D PDB for NP0000923 (D-Galactose)

COMPND    HMDB0000143
HETATM    1  O1  UNL     1      -3.153   0.292  -0.855  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.530   0.058   0.352  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.049  -0.146   0.228  1.00  0.00           C  
HETATM    4  O2  UNL     1      -0.688  -1.210  -0.565  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.629  -1.539  -0.281  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.667  -1.836   1.100  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.593  -0.427  -0.549  1.00  0.00           C  
HETATM    8  O4  UNL     1       2.843  -0.841  -0.038  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.157   0.824   0.144  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.953   1.911  -0.098  1.00  0.00           O  
HETATM   11  C6  UNL     1      -0.308   1.071  -0.238  1.00  0.00           C  
HETATM   12  O6  UNL     1      -0.305   1.166  -1.647  1.00  0.00           O  
HETATM   13  H1  UNL     1      -4.114   0.004  -0.746  1.00  0.00           H  
HETATM   14  H2  UNL     1      -2.956  -0.876   0.774  1.00  0.00           H  
HETATM   15  H3  UNL     1      -2.696   0.857   1.099  1.00  0.00           H  
HETATM   16  H4  UNL     1      -0.673  -0.370   1.268  1.00  0.00           H  
HETATM   17  H5  UNL     1       0.881  -2.462  -0.823  1.00  0.00           H  
HETATM   18  H6  UNL     1       1.262  -2.617   1.251  1.00  0.00           H  
HETATM   19  H7  UNL     1       1.674  -0.252  -1.649  1.00  0.00           H  
HETATM   20  H8  UNL     1       2.945  -0.510   0.901  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.122   0.590   1.248  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.385   2.200   0.769  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.628   2.007   0.221  1.00  0.00           H  
HETATM   24  H12 UNL     1      -0.013   2.105  -1.867  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   14   15
CONECT    3    4   11   16
CONECT    4    5
CONECT    5    6    7   17
CONECT    6   18
CONECT    7    8    9   19
CONECT    8   20
CONECT    9   10   11   21
CONECT   10   22
CONECT   11   12   23
CONECT   12   24
END
Download

SMILES for NP0000923 (D-Galactose)

[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
Download

INCHI for NP0000923 (D-Galactose)

InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
Download
View in JSmol
Synonyms
ValueSource
ALPHA D-GALACTOSEChEBI
alpha-D-GalChEBI
Gal-alphaChEBI
WURCS=2.0/1,1,0/[a2112h-1a_1-5]/1/ChEBI
alpha-D-GalactoseKegg
a D-GALACTOSEGenerator
Α D-galactoseGenerator
a-D-GalGenerator
Α-D-galGenerator
Gal-aGenerator
Gal-αGenerator
a-D-GalactoseGenerator
Α-D-galactoseGenerator
(+)-GalactoseHMDB
5AbpHMDB
8AbpHMDB
alpha-D-GalactopyranoseHMDB
D-(+)-GalactoseHMDB
D-HexoseHMDB
GALHMDB
GalactoseHMDB
Galactose (NF)HMDB
GLAHMDB
GLCHMDB
HexoseHMDB
SHU 508 aHMDB
SH-TA-508HMDB
SHU 508HMDB
LevovistHMDB
SHU-508HMDB
Chemical FormulaC6H12O6
Average Mass180.1559 Da
Monoisotopic Mass180.06339 Da
IUPAC Name(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Namegalactose
CAS Registry Number59-23-4
SMILES
[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]1([H])O[H]
InChI Identifier
InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
InChI KeyWQZGKKKJIJFFOK-PHYPRBDBSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, simulated)Ahselim2022-01-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, simulated)v.dorna83@yahoo.comNot AvailableNot Available2021-08-08View Spectrum
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Acacia tortuosaKNApSAcK Database
Actinidia chinensisFooDB
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arabidopsis thalianaLOTUS Database
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea L. ssp. BotrytisKNApSAcK Database
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bubalus bubalisFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papayaKNApSAcK Database
Carica papaya L.FooDB
CarideaFooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
Cassia angustifoliaKNApSAcK Database
Cassia fistulaLOTUS Database
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Ceratonia siliquaFooDB
CervidaeFooDB
Cervus canadensisFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Clerodendrum mandarinorumLOTUS Database
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corchorus olitoriusFooDB
CoregonusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crassostrea virginicaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Cuphea appendiculataLOTUS Database
Curcuma longaFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Dromaius novaehollandiaeFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Euphorbia plumerioidesLOTUS Database
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
GadiformesFooDB
Gadus macrocephalusFooDB
Gallus gallusFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hibiscus sabdariffa L.KNApSAcK Database
HippoglossusFooDB
Hippoglossus hippoglossusFooDB
Hippoglossus stenolepisFooDB
Hippophae rhamnoidesFooDB
Homarus americanusFooDB
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Ictalurus punctatusFooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lagopus mutaFooDB
Laminaria japonicaKNApSAcK Database
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
Levisticum officinaleFooDB
Limonium gmeliniiLOTUS Database
Linum usitatissimumFooDB
Litchi chinensisFooDB
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Microstomus kittFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Mus musculusLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
NephropidaeFooDB
Numida meleagrisFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
OdocoileusFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
Oncorhynchus ketaFooDB
Oncorhynchus kisutchFooDB
Oncorhynchus mykissFooDB
Oncorhynchus nerkaFooDB
Oncorhynchus tshawytschaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaKNApSAcK Database
OsmeridaeFooDB
Ovis ariesFooDB
Pachyrhizus erosusFooDB
Paeonia peregrinaKNApSAcK Database
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
PectinidaeFooDB
Pediomelum esculentumFooDB
Penicillium dierckxiiLOTUS Database
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllanthus sellowianusKNApSAcK Database
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
PleuronectiformesFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Primula verisLOTUS Database
Prunus armeniacaFooDB
Prunus aviumKNApSAcK Database
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Saccharina japonicaPlant
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Scorzonera hispanicaFooDB
SebastesFooDB
Sebastes alutusFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum L.KNApSAcK Database
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
SoleidaeFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Stenodus leucichthysFooDB
Streptomyces griseusLOTUS Database
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Symphytum tuberosumLOTUS Database
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
Theobroma cacaoFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Withania somniferaLOTUS Database
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Species Where Detected
Species NameSourceReference
Escherichia coliKNApSAcK Database
Homo sapiens (Serum)KNApSAcK Database
Homo sapiens (Urine)KNApSAcK Database
Phoma medicaginisKNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point170 °CNot Available
Boiling Point410.80 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility683 mg/mLNot Available
LogP-2.490 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
Water Solubility782 g/LALOGPS
logP-2.6ALOGPS
logP-2.9ChemAxon
logS0.64ALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.92 m³·mol⁻¹ChemAxon
Polarizability16.13 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0000143
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB021787
KNApSAcK IDC00001119
Chemspider ID388480
KEGG Compound IDC00984
BioCyc IDALPHA-D-GALACTOSE
BiGG IDNot Available
Wikipedia LinkGalactose
METLIN IDNot Available
PubChem Compound439357
PDB IDNot Available
ChEBI ID28061
Good Scents IDrw1233801
References
General References
  1. Tyfield L, Reichardt J, Fridovich-Keil J, Croke DT, Elsas LJ 2nd, Strobl W, Kozak L, Coskun T, Novelli G, Okano Y, Zekanowski C, Shin Y, Boleda MD: Classical galactosemia and mutations at the galactose-1-phosphate uridyl transferase (GALT) gene. Hum Mutat. 1999;13(6):417-30. [PubMed:10408771 ]
  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. 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 ]
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