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Showing NP-Card for Galactaric acid (NP0001319)

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Record Information
Version2.0
Created at2005-11-16 15:48:42 UTC
Updated at2021-08-09 22:33:20 UTC
NP-MRD IDNP0001319
Secondary Accession NumbersNone
Natural Product Identification
Common NameGalactaric acid
DescriptionGalactaric acid, also known as mucic acid or galactarate, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Technically, galactaric acid is an aldaric acid obtained by oxidation of galactose. Galactaric acid exists as a white crystalline powder, which melts at 210 - 230 oC. It is insoluble in alcohol, and nearly insoluble in cold water (1 g/300 mL) but more soluble in hot water (1 g/60 mL).. Galactaric acid exists in all living organisms, ranging from bacteria to plants to humans. In plants, galactaric acid is commonly produced or utilized as an osmorgulator (PMID: 31505987 ). Galactaric acid has been detected, but not quantified in, several different foods, such as fruits, vegetables and bovine milk. A recent large-scale dietary study found that galactaric acid can serve as a biomarker for long-term dairy intake and for the consumption of carotenoid-rich vegetables (PMID: 33566801 ). In food production, galactaric acid can be used to replace tartaric acid in self-rising flour or fizzies.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001319 (Galactaric acid)


  Mrv1652305271900132D          

 14 13  0  0  0  0            999 V2000
 9992.3250 9992.8934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.0390 9992.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9993.7546 9992.8934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9994.4701 9992.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1836 9992.8934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.4701 9991.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.7546 9993.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.0390 9991.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.6103 9992.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9990.8955 9992.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.1808 9992.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.8955 9993.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.6103 9991.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.3250 9993.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  1  0  0  0
  2  3  1  0  0  0  0
  2  8  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
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3D MOL for NP0001319 (Galactaric acid)

HMDB0000639
     RDKit          3D
Galactaric acid
 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9008    1.2308    0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097    0.2687    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -1.0073    0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088    0.4846    0.8924 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4507    1.8470    1.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.0434   -0.2491 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0616    0.7694   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032    0.2966    0.2728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8008   -0.4557    1.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    0.1233   -0.7372 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8456   -1.1591   -1.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    0.5773   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0447    1.7392    0.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0728   -0.2282    0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855   -1.2811   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -0.0758    1.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8846    2.3200    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590   -1.0255   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878    1.7018   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286    1.3758    0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6914   -0.8888    1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230    0.8315   -1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248   -1.6763   -1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775   -0.3731   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  3 15  1  0
  4 16  1  1
  5 17  1  0
  6 18  1  6
  7 19  1  0
  8 20  1  1
  9 21  1  0
 10 22  1  6
 11 23  1  0
 14 24  1  0
M  END
Download

3D SDF for NP0001319 (Galactaric acid)


  Mrv1652305271900132D          

 14 13  0  0  0  0            999 V2000
 9992.3250 9992.8934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.0390 9992.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9993.7546 9992.8934    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9994.4701 9992.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.1836 9992.8934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9994.4701 9991.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.7546 9993.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9993.0390 9991.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.6103 9992.4815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9990.8955 9992.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.1808 9992.4815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.8955 9993.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.6103 9991.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.3250 9993.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 14  1  1  0  0  0
  2  3  1  0  0  0  0
  2  8  1  6  0  0  0
  3  4  1  0  0  0  0
  3  7  1  6  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  1  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0001319

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-

> <INCHI_KEY>
DSLZVSRJTYRBFB-DUHBMQHGSA-N

> <FORMULA>
C6H10O8

> <MOLECULAR_WEIGHT>
210.1388

> <EXACT_MASS>
210.037567296

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.986645659932883

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid

> <ALOGPS_LOGP>
-1.77

> <JCHEM_LOGP>
-3.089469772666667

> <ALOGPS_LOGS>
-0.52

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.5410690508784013

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.828604159491

> <JCHEM_PKA_STRONGEST_BASIC>
-3.7307040369214137

> <JCHEM_POLAR_SURFACE_AREA>
155.52

> <JCHEM_REFRACTIVITY>
38.13840000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.31e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mucin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0001319 (Galactaric acid)

HMDB0000639
     RDKit          3D
Galactaric acid
 24 23  0  0  0  0  0  0  0  0999 V2000
    3.9008    1.2308    0.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1097    0.2687    0.5803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -1.0073    0.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7088    0.4846    0.8924 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4507    1.8470    1.0767 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7792    0.0434   -0.2491 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0616    0.7694   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032    0.2966    0.2728 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8008   -0.4557    1.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    0.1233   -0.7372 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8456   -1.1591   -1.1890 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9624    0.5773   -0.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0447    1.7392    0.4223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0728   -0.2282    0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9855   -1.2811   -0.5417 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3546   -0.0758    1.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8846    2.3200    0.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9590   -1.0255   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7878    1.7018   -1.3555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286    1.3758    0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6914   -0.8888    1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5230    0.8315   -1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0248   -1.6763   -1.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6775   -0.3731   -0.7882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
  3 15  1  0
  4 16  1  1
  5 17  1  0
  6 18  1  6
  7 19  1  0
  8 20  1  1
  9 21  1  0
 10 22  1  6
 11 23  1  0
 14 24  1  0
M  END
Download

PDB for NP0001319 (Galactaric acid)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  C   UNK     0    8652.3408653.401   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8653.6738652.632   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8655.0098653.401   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8656.3448652.632   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8657.6768653.401   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8656.3448651.091   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8655.0098654.941   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0    8653.6738651.091   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8651.0068652.632   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8649.6728653.401   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0    8648.3378652.632   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8649.6728654.941   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8651.0068651.091   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8652.3408654.941   0.000  0.00  0.00           O+0
CONECT    1    2    9   14                                                  
CONECT    2    1    3    8                                                  
CONECT    3    2    4    7                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    3                                                            
CONECT    8    2                                                            
CONECT    9    1   10   13                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    9                                                            
CONECT   14    1                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for NP0001319 (Galactaric acid)

COMPND    HMDB0000639
HETATM    1  O1  UNL     1       3.901   1.231   0.508  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.110   0.269   0.580  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.581  -1.007   0.360  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.709   0.485   0.892  1.00  0.00           C  
HETATM    5  O3  UNL     1       1.451   1.847   1.077  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.779   0.043  -0.249  1.00  0.00           C  
HETATM    7  O4  UNL     1       1.062   0.769  -1.402  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.603   0.297   0.273  1.00  0.00           C  
HETATM    9  O5  UNL     1      -0.801  -0.456   1.408  1.00  0.00           O  
HETATM   10  C5  UNL     1      -1.688   0.123  -0.737  1.00  0.00           C  
HETATM   11  O6  UNL     1      -1.846  -1.159  -1.189  1.00  0.00           O  
HETATM   12  C6  UNL     1      -2.962   0.577  -0.072  1.00  0.00           C  
HETATM   13  O7  UNL     1      -3.045   1.739   0.422  1.00  0.00           O  
HETATM   14  O8  UNL     1      -4.073  -0.228   0.028  1.00  0.00           O  
HETATM   15  H1  UNL     1       3.986  -1.281  -0.542  1.00  0.00           H  
HETATM   16  H2  UNL     1       1.355  -0.076   1.791  1.00  0.00           H  
HETATM   17  H3  UNL     1       1.885   2.320   0.311  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.959  -1.025  -0.486  1.00  0.00           H  
HETATM   19  H5  UNL     1       0.788   1.702  -1.356  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.629   1.376   0.597  1.00  0.00           H  
HETATM   21  H7  UNL     1      -1.691  -0.889   1.425  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.523   0.832  -1.573  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.025  -1.676  -1.277  1.00  0.00           H  
HETATM   24  H10 UNL     1      -4.677  -0.373  -0.788  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   15
CONECT    4    5    6   16
CONECT    5   17
CONECT    6    7    8   18
CONECT    7   19
CONECT    8    9   10   20
CONECT    9   21
CONECT   10   11   12   22
CONECT   11   23
CONECT   12   13   13   14
CONECT   14   24
END
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SMILES for NP0001319 (Galactaric acid)

O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
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INCHI for NP0001319 (Galactaric acid)

InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
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View in JSmol
Synonyms
ValueSource
Acido galactaricoChEBI
Acido mucicoChEBI
GalactarsaeureChEBI
Galactosaccharic acidChEBI
GalaktarsaeureChEBI
Mucic acidChEBI
MucinsaeureChEBI
Saccharolactic acidChEBI
SchleimsaeureChEBI
D-Mucic acidKegg
D-Galactaric acidKegg
GalactarateKegg
GalactosaccharateGenerator
MucateGenerator
SaccharolactateGenerator
D-MucateGenerator
D-GalactarateGenerator
(2R,3S,4R,5S)-2,3,4,5-TetrahydroxyhexanedioateHMDB
(2R,3S,4R,5S)-2,3,4,5-Tetrahydroxyhexanedioic acidHMDB
Hexaric acidHMDB
Meso-galactaric acidHMDB
SchleimsaureHMDB
Strontium galactarate mono-hydrateHMDB
Galactaric acid, sodium saltHMDB
Chemical FormulaC6H10O8
Average Mass210.1388 Da
Monoisotopic Mass210.03757 Da
IUPAC Name(2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid
Traditional Namemucin
CAS Registry Number526-99-8
SMILES
O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
InChI Identifier
InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/t1-,2+,3+,4-
InChI KeyDSLZVSRJTYRBFB-DUHBMQHGSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Arabidopsis thalianaLOTUS Database
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
Carica papayaKNApSAcK Database
CervidaeFooDB
Cervus canadensisFooDB
ColumbaFooDB
ColumbidaeFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Homo sapiensLOTUS Database
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Lotus corniculatusLOTUS Database
Lotus creticusLOTUS Database
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phyllanthus emblicaKNApSAcK Database
Prunus persicaFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Trypanosoma bruceiLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Hydroxy acid
  • Dicarboxylic acid or derivatives
  • Alpha-hydroxy acid
  • Fatty acyl
  • Fatty acid
  • Secondary alcohol
  • Polyol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point220 - 225 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility3.3 mg/mL at 14 °CNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility63.1 g/LALOGPS
logP-1.8ALOGPS
logP-3.1ChemAxon
logS-0.52ALOGPS
pKa (Strongest Acidic)2.83ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area155.52 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.14 m³·mol⁻¹ChemAxon
Polarizability16.99 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0000639
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB001205
KNApSAcK IDC00051648
Chemspider ID2301286
KEGG Compound IDC00879
BioCyc IDD-GALACTARATE
BiGG IDNot Available
Wikipedia LinkGalactaric_acid
METLIN ID5612
PubChem Compound3037582
PDB IDNot Available
ChEBI ID30852
Good Scents IDrw1735431
References
General References
  1. Hirayama A, Nakashima E, Sugimoto M, Akiyama S, Sato W, Maruyama S, Matsuo S, Tomita M, Yuzawa Y, Soga T: Metabolic profiling reveals new serum biomarkers for differentiating diabetic nephropathy. Anal Bioanal Chem. 2012 Dec;404(10):3101-9. doi: 10.1007/s00216-012-6412-x. Epub 2012 Sep 29. [PubMed:23052862 ]
  2. Saladini M, Menabue L, Ferrari E: Sugar complexes with metal(2+) ions: thermodynamic parameters of associations of Ca(2+), Mg(2+) and Zn(2+) with galactaric acid. Carbohydr Res. 2001 Nov 1;336(1):55-61. doi: 10.1016/s0008-6215(01)00243-9. [PubMed:11675026 ]
  3. Saladini M, Ferrari E, Menabue L: Co-ordination of transition metal ions by galactaric acid: a potentiometric and spectroscopic study. J Inorg Biochem. 2002 Nov 11;92(2):121-7. doi: 10.1016/s0162-0134(02)00544-5. [PubMed:12459157 ]
  4. Fonseca A: Utilization of tartaric acid and related compounds by yeasts: taxonomic implications. Can J Microbiol. 1992 Dec;38(12):1242-51. doi: 10.1139/m92-205. [PubMed:1288842 ]
  5. Strack D, Gross W: Properties and Activity Changes of Chlorogenic Acid:Glucaric Acid Caffeoyltransferase From Tomato (Lycopersicon esculentum). Plant Physiol. 1990 Jan;92(1):41-7. doi: 10.1104/pp.92.1.41. [PubMed:16667263 ]
  6. Jana GA, Al Kharusi L, Sunkar R, Al-Yahyai R, Yaish MW: Metabolomic analysis of date palm seedlings exposed to salinity and silicon treatments. Plant Signal Behav. 2019;14(11):1663112. doi: 10.1080/15592324.2019.1663112. Epub 2019 Sep 11. [PubMed:31505987 ]
  7. Shibutami E, Ishii R, Harada S, Kurihara A, Kuwabara K, Kato S, Iida M, Akiyama M, Sugiyama D, Hirayama A, Sato A, Amano K, Sugimoto M, Soga T, Tomita M, Takebayashi T: Charged metabolite biomarkers of food intake assessed via plasma metabolomics in a population-based observational study in Japan. PLoS One. 2021 Feb 10;16(2):e0246456. doi: 10.1371/journal.pone.0246456. eCollection 2021. [PubMed:33566801 ]