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Showing metabocard for D-Mannose (HMDB0000169)

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enzymes (50) Show 50 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-11-15 21:04:28 UTC
HMDB IDHMDB0000169
Secondary Accession Numbers
  • HMDB00169
Metabolite Identification
Common NameD-Mannose
DescriptionD-Mannose (also called Mannose or D-mannopyranose) is a hexose or a six-carbon sugar. It is also classified as an aldohexose. It is fermentable monosaccharide and an isomer of glucose. Mannose commonly exists as two different-sized rings, the pyranose (six-membered) form and the furanose (five-membered) form. Formally, D-Mannose is the 2-epimer of glucose and exists primarily as sweet-tasting alpha- (67%) or as a bitter-tasting beta- (33%) anomer of the pyranose form (PMID: 24931670 ). Mannose is not an essential nutrient, meaning that it can be produced in the human body from glucose or converted into glucose. Mannose is ~5x as active as glucose in non-enzyamtic glycation, which may explain why evolution did not favor it as a biological energy source (PMID: 24931670 ). Mannose occurs in microbes, plants and animals. Free mannose is found in small amounts in many fruits such as oranges, apples and peaches and in mammalian plasma at 50-100 uM (PMID: 24931670 ). More often, mannose occurs in homo-or hetero-polymers such as yeast mannans (alpha-mannose) where it can account for nearly 16% of dry weight or in galactomannans. Coffee beans, fenugreek and guar gums are rich sources of galactomannans. However, these plant polysaccharides are not degraded in the mammalian GI tract and, therefore, provide very little bio-available mannose for glycan synthesis. The digestion of many polysaccharides and glycoproteins also yields mannose. Once mannose is released, it is phosphorylated by hexokinase to generate mannose-6-phosphate. Mannose-6-phosphate is then converted to fructose-6-phosphate, by the enzyme phosphomannose isomerase, whereupon it enters the glycolytic pathway or is converted to glucose-6-phosphate by the gluconeogenic pathway. Mannose is a dominant monosaccharide in N-linked glycosylation, which is a post-translational modification of proteins. N-linked glycosylation is initiated by the transfer of Glc3Man9GlcNAc2 to nascent glycoproteins in the endoplasmic reticulum in a co-translational manner as the protein enters the transport system. Typically, mature human glycoproteins only contain three mannose residues buried under sequential modification by GlcNAc, galactose, and sialic acid. High-mannose-type oligosaccharides have been shown to play important roles in protein quality control. Several intracellular proteins such as lectins, chaperones, and glycan-processing enzymes, are involved in this process. These include calnexin/calreticulin, UDP-glucose:glycoprotein glucosyltransferase (UGGT), cargo receptors (such as VIP36 and ERGIC-53), mannosidase-like proteins (e.g. EDEM and Htm1p) and ubiquitin ligase (Fbs). They are thought to recognize high-mannose-type glycans with subtly different structures. Mannose-binding lectin (MBL) is an important constituent of the innate immune system. This protein binds through multiple lectin domains to the repeating sugar arrays that decorate many microbial surfaces and is then able to activate the complement system through a specific protease called MBL-associated protease-2. Mannose (D-mannose) is used as a nutritional supplement, packaged as "D-mannose", to prevent recurrent urinary tract infections (PMID: 21105658 ). D-mannose prevents FimH-mediated bacterial adhesion in the urinary tract through a competitive inhibition mechanism. This mechanism is based on the structural similarity between D-mannose and urothelial mannosylated receptors exposed by the epithelium of the urinary tract (PMID: 21105658 ). When D-mannose is administered in sufficient amounts, it is rapidly absorbed and then excreted by the urinary tract where it saturates bacterial FimH, thereby preventing bacterial binding to urothelial cells.
Structure
Data?1585247574
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000169 (D-Mannose)


  Mrv1652309032023552D          

 12 12  0  0  1  0            999 V2000
    0.3572   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3572   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0716   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7861    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0716    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  5  9  1  0  0  0  0
  3  1  1  0  0  0  0
  9  6  1  0  0  0  0
  1 10  1  0  0  0  0
  6 10  1  0  0  0  0
  1  2  1  1  0  0  0
  3  4  1  6  0  0  0
  5 11  1  1  0  0  0
  6  7  1  6  0  0  0
 10  8  1  1  0  0  0
 11 12  1  0  0  0  0
M  END
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3D MOL for HMDB0000169 (D-Mannose)

HMDB0000169
     RDKit          3D
D-Mannose
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.2793    0.9708    0.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717    0.0939   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    0.1225    0.1612 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5570    1.4034    0.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072    1.3623    0.9287 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3378    0.5587    2.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6603    0.6766    0.1026 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9617    1.3729   -1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444   -0.7155   -0.2475 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9713   -1.0916   -1.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -0.9090   -0.4611 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6109   -2.1614    0.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433    0.5058    0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -0.9612   -0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    0.3829   -1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683   -0.1572    1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216    2.3811    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    0.0711    2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165    0.6012    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    2.3135   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677   -1.3931    0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182   -1.6865   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.9108   -1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073   -2.8305   -0.0594 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  1
  6 18  1  0
  7 19  1  1
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
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3D SDF for HMDB0000169 (D-Mannose)


  Mrv1652309032023552D          

 12 12  0  0  1  0            999 V2000
    0.3572   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3572   -1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0716   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7861    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7861   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.0716    1.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7861    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  3  1  0  0  0  0
  5  9  1  0  0  0  0
  3  1  1  0  0  0  0
  9  6  1  0  0  0  0
  1 10  1  0  0  0  0
  6 10  1  0  0  0  0
  1  2  1  1  0  0  0
  3  4  1  6  0  0  0
  5 11  1  1  0  0  0
  6  7  1  6  0  0  0
 10  8  1  1  0  0  0
 11 12  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000169

> <DATABASE_NAME>
hmdb

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

> <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-PQMKYFCFSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.13167794027091

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,5S,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>
α-D-mannose

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0000169 (D-Mannose)

HMDB0000169
     RDKit          3D
D-Mannose
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.2793    0.9708    0.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4717    0.0939   -0.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0889    0.1225    0.1612 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5570    1.4034    0.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6072    1.3623    0.9287 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3378    0.5587    2.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6603    0.6766    0.1026 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9617    1.3729   -1.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2444   -0.7155   -0.2475 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9713   -1.0916   -1.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -0.9090   -0.4611 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6109   -2.1614    0.0489 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8433    0.5058    0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8241   -0.9612   -0.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    0.3829   -1.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2683   -0.1572    1.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9216    2.3811    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1016    0.0711    2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165    0.6012    0.6790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    2.3135   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5677   -1.3931    0.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7182   -1.6865   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.9108   -1.5613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073   -2.8305   -0.0594 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  1
  6 18  1  0
  7 19  1  1
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
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PDB for HMDB0000169 (D-Mannose)

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  C   UNK     0       0.667  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.667  -2.310   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -0.667   0.000   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -2.000  -0.770   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -0.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.001   1.540   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.334   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       3.334  -0.770   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.667   2.310   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.001   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.000   2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -3.334   1.540   0.000  0.00  0.00           O+0
CONECT    1    3   10    2                                                  
CONECT    2    1                                                            
CONECT    3    5    1    4                                                  
CONECT    4    3                                                            
CONECT    5    3    9   11                                                  
CONECT    6    9   10    7                                                  
CONECT    7    6                                                            
CONECT    8   10                                                            
CONECT    9    5    6                                                       
CONECT   10    1    6    8                                                  
CONECT   11    5   12                                                       
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
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3D PDB for HMDB0000169 (D-Mannose)

COMPND    HMDB0000169
HETATM    1  O1  UNL     1       3.279   0.971   0.267  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.472   0.094  -0.479  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.089   0.123   0.161  1.00  0.00           C  
HETATM    4  O2  UNL     1       0.557   1.403   0.134  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.607   1.362   0.929  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.338   0.559   2.024  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.660   0.677   0.103  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.962   1.373  -1.070  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.244  -0.716  -0.247  1.00  0.00           C  
HETATM   10  O5  UNL     1      -1.971  -1.092  -1.392  1.00  0.00           O  
HETATM   11  C6  UNL     1       0.206  -0.909  -0.461  1.00  0.00           C  
HETATM   12  O6  UNL     1       0.611  -2.161   0.049  1.00  0.00           O  
HETATM   13  H1  UNL     1       3.843   0.506   0.919  1.00  0.00           H  
HETATM   14  H2  UNL     1       2.824  -0.961  -0.385  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.422   0.383  -1.540  1.00  0.00           H  
HETATM   16  H4  UNL     1       1.268  -0.157   1.241  1.00  0.00           H  
HETATM   17  H5  UNL     1      -0.922   2.381   1.213  1.00  0.00           H  
HETATM   18  H6  UNL     1      -1.102   0.071   2.373  1.00  0.00           H  
HETATM   19  H7  UNL     1      -2.616   0.601   0.679  1.00  0.00           H  
HETATM   20  H8  UNL     1      -2.171   2.314  -0.889  1.00  0.00           H  
HETATM   21  H9  UNL     1      -1.568  -1.393   0.589  1.00  0.00           H  
HETATM   22  H10 UNL     1      -2.718  -1.686  -1.190  1.00  0.00           H  
HETATM   23  H11 UNL     1       0.414  -0.911  -1.561  1.00  0.00           H  
HETATM   24  H12 UNL     1      -0.107  -2.830  -0.059  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
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SMILES for HMDB0000169 (D-Mannose)

OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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INCHI for HMDB0000169 (D-Mannose)

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
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
alpha-D-ManChEBI
a-D-ManGenerator
α-D-ManGenerator
a-D-MannoseGenerator
α-D-MannoseGenerator
alpha-D-MannopyranoseChEBI
a-D-MannopyranoseGenerator
α-D-MannopyranoseGenerator
(+)-MannoseHMDB
CarubinoseHMDB
D(+)-MannoseHMDB
MannoseHMDB
SeminoseHMDB
alpha-D-MannoseHMDB
alpha-MannoseHMDB
α-MannoseHMDB
Chemical FormulaC6H12O6
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
IUPAC Name(2S,3S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Nameα-D-mannose
CAS Registry Number3458-28-4
SMILES
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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-PQMKYFCFSA-N
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
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Biological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point132 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility713 mg/mL at 17 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Astarita_neg130.330932474
Predicted Molecular 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
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+141.69630932474
DeepCCS[M-H]-139.32330932474
DeepCCS[M-2H]-173.94730932474
DeepCCS[M+Na]+148.2430932474
AllCCS[M+H]+141.032859911
AllCCS[M+H-H2O]+136.832859911
AllCCS[M+NH4]+145.032859911
AllCCS[M+Na]+146.232859911
AllCCS[M-H]-131.832859911
AllCCS[M+Na-2H]-132.832859911
AllCCS[M+HCOO]-134.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-MannoseOC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O3448.8Standard polar33892256
D-MannoseOC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O1916.4Standard non polar33892256
D-MannoseOC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O1649.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Mannose,1TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O1738.4Semi standard non polar33892256
D-Mannose,1TMS,isomer #2C[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O1673.8Semi standard non polar33892256
D-Mannose,1TMS,isomer #3C[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O1683.6Semi standard non polar33892256
D-Mannose,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O1688.3Semi standard non polar33892256
D-Mannose,1TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]1O1678.0Semi standard non polar33892256
D-Mannose,2TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O1722.4Semi standard non polar33892256
D-Mannose,2TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O[Si](C)(C)C1681.6Semi standard non polar33892256
D-Mannose,2TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1737.0Semi standard non polar33892256
D-Mannose,2TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1742.6Semi standard non polar33892256
D-Mannose,2TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1712.2Semi standard non polar33892256
D-Mannose,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1701.4Semi standard non polar33892256
D-Mannose,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C)O[C@H](CO)[C@H]1O1703.5Semi standard non polar33892256
D-Mannose,2TMS,isomer #7C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[Si](C)(C)C1679.6Semi standard non polar33892256
D-Mannose,2TMS,isomer #8C[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O1697.1Semi standard non polar33892256
D-Mannose,2TMS,isomer #9C[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C1692.2Semi standard non polar33892256
D-Mannose,3TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1703.6Semi standard non polar33892256
D-Mannose,3TMS,isomer #10C[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1736.7Semi standard non polar33892256
D-Mannose,3TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1753.4Semi standard non polar33892256
D-Mannose,3TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1717.5Semi standard non polar33892256
D-Mannose,3TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1748.2Semi standard non polar33892256
D-Mannose,3TMS,isomer #5C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1766.0Semi standard non polar33892256
D-Mannose,3TMS,isomer #6C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1701.0Semi standard non polar33892256
D-Mannose,3TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)O[C@@H]1CO1733.4Semi standard non polar33892256
D-Mannose,3TMS,isomer #8C[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O1739.0Semi standard non polar33892256
D-Mannose,3TMS,isomer #9C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1O[Si](C)(C)C1725.4Semi standard non polar33892256
D-Mannose,4TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1815.5Semi standard non polar33892256
D-Mannose,4TMS,isomer #2C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1815.2Semi standard non polar33892256
D-Mannose,4TMS,isomer #3C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1820.5Semi standard non polar33892256
D-Mannose,4TMS,isomer #4C[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1819.4Semi standard non polar33892256
D-Mannose,4TMS,isomer #5C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@@H]1O[Si](C)(C)C1800.9Semi standard non polar33892256
D-Mannose,5TMS,isomer #1C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1877.4Semi standard non polar33892256
D-Mannose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O2002.6Semi standard non polar33892256
D-Mannose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O1940.1Semi standard non polar33892256
D-Mannose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O1940.5Semi standard non polar33892256
D-Mannose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O1947.1Semi standard non polar33892256
D-Mannose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]1O1943.8Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O2208.7Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C2181.6Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2210.9Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2219.8Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2197.5Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O2193.9Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@H](CO)[C@H]1O2195.0Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[Si](C)(C)C(C)(C)C2180.7Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2190.8Semi standard non polar33892256
D-Mannose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2192.8Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O2441.4Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2455.2Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O2449.6Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2445.1Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O2466.7Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2468.7Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2439.7Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)O[C@@H]1CO2451.3Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1O[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]1O2451.2Semi standard non polar33892256
D-Mannose,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CO)O[C@@H]1O[Si](C)(C)C(C)(C)C2454.9Semi standard non polar33892256
D-Mannose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O2671.4Semi standard non polar33892256
D-Mannose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O[Si](C)(C)C(C)(C)C2668.4Semi standard non polar33892256
D-Mannose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O[Si](C)(C)C(C)(C)C2664.4Semi standard non polar33892256
D-Mannose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O[Si](C)(C)C(C)(C)C2681.0Semi standard non polar33892256
D-Mannose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H]1O[Si](C)(C)C(C)(C)C2669.4Semi standard non polar33892256
D-Mannose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H]1O[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]1O[Si](C)(C)C(C)(C)C2890.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-0mi2-0931000000-96f0cf3c2d4a8bea25b92020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00kb-1931000000-ec423f92582012821c6a2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-0fr2-1920000000-b6be17dc79a948dfe5fa2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS; 1 MEOX)splash10-00di-9831000000-409527d22fb759cb628f2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS; 1 MEOX)splash10-00di-9621000000-34b421fd962840bfbaec2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-MS (1 MEOX; 5 TMS)splash10-066r-1942000000-1c8164b54d2d16c782c32020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-MS (1 MEOX; 5 TMS)splash10-0ldi-1942000000-c68a088eba727f3a4ada2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Non-derivatized)splash10-0mi2-0931000000-96f0cf3c2d4a8bea25b92020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Non-derivatized)splash10-00kb-1931000000-ec423f92582012821c6a2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Non-derivatized)splash10-0fr2-1920000000-b6be17dc79a948dfe5fa2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Non-derivatized)splash10-00di-9831000000-409527d22fb759cb628f2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-EI-TOF (Non-derivatized)splash10-00di-9621000000-34b421fd962840bfbaec2020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-MS (Non-derivatized)splash10-066r-1942000000-1c8164b54d2d16c782c32020-03-26HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Mannose GC-MS (Non-derivatized)splash10-0ldi-1942000000-c68a088eba727f3a4ada2020-03-26HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0np0-9700000000-e8d638dc817e46b97d7b2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Mannose GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Mannose Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-01pc-6900000000-0ef33e32ee16b7803f1b2020-03-26HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Mannose Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00kr-9000000000-27e169c1df0c3ee598062020-03-26HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Mannose LC-ESI-ITFT , positive-QTOFsplash10-03ea-0900000000-9fb0e8db39598c7a269b2020-03-26HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 10V, Positive-QTOFsplash10-01q9-0900000000-b0bc47623e7b2ca31c022016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 20V, Positive-QTOFsplash10-03ea-3900000000-648e1637af29cf2a35182016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 40V, Positive-QTOFsplash10-0007-9200000000-9e6f46a1cbf52d6e347a2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 10V, Negative-QTOFsplash10-004i-2900000000-a4ec4f0b1e29e360a9522016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 20V, Negative-QTOFsplash10-01t9-6900000000-7b3ea9c64ecc8d4ac8672016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 40V, Negative-QTOFsplash10-052f-9100000000-ec2bf4918640a0a363982016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 10V, Negative-QTOFsplash10-004i-2900000000-2448926b508622464fe72021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 20V, Negative-QTOFsplash10-056r-8900000000-4c073cb93b78120113e62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 40V, Negative-QTOFsplash10-0a4l-9000000000-ece70093ab5d3c331ac42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 10V, Positive-QTOFsplash10-01qa-0900000000-04ceb34d441ff6a757632021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 20V, Positive-QTOFsplash10-03dl-9400000000-a8f1ceab155611f949c12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Mannose 40V, Positive-QTOFsplash10-01ow-9000000000-358f68fc2b7a72c275462021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H 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)2020-03-26Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Lysosome
  • Endoplasmic reticulum
  • Golgi apparatus
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Adrenal Medulla
  • Bladder
  • Epidermis
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Pancreas
  • Placenta
  • Prostate
  • Skeletal Muscle
  • Spleen
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified39.0 +/- 7.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified64.0 +/- 12.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
Breast MilkDetected and Quantified66.4 +/- 2.3 uMAdult (>18 years old)FemaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified64.0 (56.0-72.0) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified24 +/- 13 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified1010.236 +/- 542.863 nmol/g wet fecesNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
    • Zerihun T. Dame, ...
 details
UrineDetected and Quantified2.357 +/- 0.311 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified11.65 +/- 15.42 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified2.5 (0.0-12.6) umol/mmol creatinineNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
 details
UrineDetected and Quantified1.25 (0.0-2.5) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothEnthesitis-related arthritis details
UrineDetected and Quantified23.466 +/- 26.455 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001202
KNApSAcK IDC00001126
Chemspider ID161434
KEGG Compound IDC00936
BioCyc IDMANNOSE
BiGG IDNot Available
Wikipedia LinkMannose
METLIN IDNot Available
PubChem Compound185698
PDB IDNot Available
ChEBI ID28729
Food Biomarker OntologyNot Available
VMH IDMAN
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis Reference Sowden, John C.; Fischer, Hermann O. L. Condensation of nitromethane with D- and L-arabinose: preparation of L-glucose and L-mannose. Journal of the American Chemical Society (1947), 69 1963-5.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Wu X, Rush JS, Karaoglu D, Krasnewich D, Lubinsky MS, Waechter CJ, Gilmore R, Freeze HH: Deficiency of UDP-GlcNAc:Dolichol Phosphate N-Acetylglucosamine-1 Phosphate Transferase (DPAGT1) causes a novel congenital disorder of Glycosylation Type Ij. Hum Mutat. 2003 Aug;22(2):144-50. [PubMed:12872255 ]
  2. Thio CL, Mosbruger T, Astemborski J, Greer S, Kirk GD, O'Brien SJ, Thomas DL: Mannose binding lectin genotypes influence recovery from hepatitis B virus infection. J Virol. 2005 Jul;79(14):9192-6. [PubMed:15994813 ]
  3. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  4. Lee SH, Nam SY, Chung BC: Altered profile of endogenous steroids in the urine of patients with prolactinoma. Clin Biochem. 1998 Oct;31(7):529-35. [PubMed:9812172 ]
  5. Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. [PubMed:2026685 ]
  6. Alton G, Hasilik M, Niehues R, Panneerselvam K, Etchison JR, Fana F, Freeze HH: Direct utilization of mannose for mammalian glycoprotein biosynthesis. Glycobiology. 1998 Mar;8(3):285-95. [PubMed:9451038 ]
  7. Nakagawa F, Schulte BA, Spicer SS: Lectin cytochemical evaluation of somatosensory neurons and their peripheral and central processes in rat and man. Cell Tissue Res. 1986;245(3):579-89. [PubMed:3757018 ]
  8. Otter M, Zockova P, Kuiper J, van Berkel TJ, Barrett-Bergshoeff MM, Rijken DC: Isolation and characterization of the mannose receptor from human liver potentially involved in the plasma clearance of tissue-type plasminogen activator. Hepatology. 1992 Jul;16(1):54-9. [PubMed:1618483 ]
  9. Hu P, Parenti G, Keulemans J, Hoogeveen AT: Lysosomal tartrate sensitive acid phosphatase deficiency in cells which contain lysosomal "high uptake forms". Biochem Biophys Res Commun. 1990 Mar 16;167(2):520-7. [PubMed:2322240 ]
  10. Hermentin P, Witzel R, Kanzy EJ, Diderrich G, Hoffmann D, Metzner H, Vorlop J, Haupt H: The hypothetical N-glycan charge: a number that characterizes protein glycosylation. Glycobiology. 1996 Mar;6(2):217-30. [PubMed:8727793 ]
  11. DeRossi C, Bode L, Eklund EA, Zhang F, Davis JA, Westphal V, Wang L, Borowsky AD, Freeze HH: Ablation of mouse phosphomannose isomerase (Mpi) causes mannose 6-phosphate accumulation, toxicity, and embryonic lethality. J Biol Chem. 2006 Mar 3;281(9):5916-27. Epub 2005 Dec 8. [PubMed:16339137 ]
  12. Miras MT, Aunis D, Mandel P: Studies on the interaction of dopamine beta-hydroxylase from various sources with phytohaemagglutinins. Clin Chim Acta. 1975 Nov 3;64(3):293-302. [PubMed:1183043 ]
  13. Van der Ploeg AT, Kroos MA, Willemsen R, Brons NH, Reuser AJ: Intravenous administration of phosphorylated acid alpha-glucosidase leads to uptake of enzyme in heart and skeletal muscle of mice. J Clin Invest. 1991 Feb;87(2):513-8. [PubMed:1991835 ]
  14. Cavallone D, Malagolini N, Monti A, Wu XR, Serafini-Cessi F: Variation of high mannose chains of Tamm-Horsfall glycoprotein confers differential binding to type 1-fimbriated Escherichia coli. J Biol Chem. 2004 Jan 2;279(1):216-22. Epub 2003 Oct 21. [PubMed:14570881 ]
  15. Adlerberth I, Ahrne S, Johansson ML, Molin G, Hanson LA, Wold AE: A mannose-specific adherence mechanism in Lactobacillus plantarum conferring binding to the human colonic cell line HT-29. Appl Environ Microbiol. 1996 Jul;62(7):2244-51. [PubMed:8779562 ]
  16. Hung CS, Bouckaert J, Hung D, Pinkner J, Widberg C, DeFusco A, Auguste CG, Strouse R, Langermann S, Waksman G, Hultgren SJ: Structural basis of tropism of Escherichia coli to the bladder during urinary tract infection. Mol Microbiol. 2002 May;44(4):903-15. [PubMed:12010488 ]
  17. Condaminet B, Peguet-Navarro J, Stahl PD, Dalbiez-Gauthier C, Schmitt D, Berthier-Vergnes O: Human epidermal Langerhans cells express the mannose-fucose binding receptor. Eur J Immunol. 1998 Nov;28(11):3541-51. [PubMed:9842897 ]
  18. Go S, Sato C, Furuhata K, Kitajima K: Oral ingestion of mannose alters the expression level of deaminoneuraminic acid (KDN) in mouse organs. Glycoconj J. 2006 Jul;23(5-6):411-21. [PubMed:16897182 ]
  19. Burk MR, Troeger C, Brinkhaus R, Holzgreve W, Hahn S: Severely reduced presence of tissue macrophages in the basal plate of pre-eclamptic placentae. Placenta. 2001 Apr;22(4):309-16. [PubMed:11286566 ]
  20. Sarkar K, Das PK: Protective effect of neoglycoprotein-conjugated muramyl dipeptide against Leishmania donovani infection: the role of cytokines. J Immunol. 1997 Jun 1;158(11):5357-65. [PubMed:9164956 ]
  21. Kusmierz J, DeGeorge JJ, Sweeney D, May C, Rapoport SI: Quantitative analysis of polyols in human plasma and cerebrospinal fluid. J Chromatogr. 1989 Dec 29;497:39-48. [PubMed:2625478 ]
  22. Biessen EA, Noorman F, van Teijlingen ME, Kuiper J, Barrett-Bergshoeff M, Bijsterbosch MK, Rijken DC, van Berkel TJ: Lysine-based cluster mannosides that inhibit ligand binding to the human mannose receptor at nanomolar concentration. J Biol Chem. 1996 Nov 8;271(45):28024-30. [PubMed:8910412 ]
  23. Smith ME: Phagocytic properties of microglia in vitro: implications for a role in multiple sclerosis and EAE. Microsc Res Tech. 2001 Jul 15;54(2):81-94. [PubMed:11455615 ]
  24. Della Porta M, Danova M, Rigolin GM, Brugnatelli S, Rovati B, Tronconi C, Fraulini C, Russo Rossi A, Riccardi A, Castoldi G: Dendritic cells and vascular endothelial growth factor in colorectal cancer: correlations with clinicobiological findings. Oncology. 2005;68(2-3):276-84. Epub 2005 Jul 7. [PubMed:16015045 ]
  25. Patnaik SK, Stanley P: Mouse large can modify complex N- and mucin O-glycans on alpha-dystroglycan to induce laminin binding. J Biol Chem. 2005 May 27;280(21):20851-9. Epub 2005 Mar 23. [PubMed:15788414 ]
  26. Brysk MM, Miller J: Concanavalin A binding glycoprotein in human stratum corneum. J Invest Dermatol. 1984 Mar;82(3):280-2. [PubMed:6421939 ]
  27. Takahashi I, Takahashi T, Mikami T, Komatsu M, Ohura T, Schuchman EH, Takada G: Acid sphingomyelinase: relation of 93lysine residue on the ratio of intracellular to secreted enzyme activity. Tohoku J Exp Med. 2005 Aug;206(4):333-40. [PubMed:15997205 ]
  28. Akazawa S, Metzger BE, Freinkel N: Relationships between glucose and mannose during late gestation in normal pregnancy and pregnancy complicated by diabetes mellitus: concurrent concentrations in maternal plasma and amniotic fluid. J Clin Endocrinol Metab. 1986 May;62(5):984-9. [PubMed:3958133 ]
  29. Blach-Olszewska Z: Innate immunity: cells, receptors, and signaling pathways. Arch Immunol Ther Exp (Warsz). 2005 May-Jun;53(3):245-53. [PubMed:15995585 ]
  30. Pietila EM, Tuusa JT, Apaja PM, Aatsinki JT, Hakalahti AE, Rajaniemi HJ, Petaja-Repo UE: Inefficient maturation of the rat luteinizing hormone receptor. A putative way to regulate receptor numbers at the cell surface. J Biol Chem. 2005 Jul 15;280(28):26622-9. Epub 2005 May 18. [PubMed:15901736 ]
  31. Carchon HA, Jaeken J: Determination of D-mannose in serum by capillary electrophoresis. Clin Chem. 2001;47(7):1319-21. [PubMed:11427470 ]
  32. Park SH, Pastuszak I, Drake R, Elbein AD: Purification to apparent homogeneity and properties of pig kidney L-fucose kinase. J Biol Chem. 1998 Mar 6;273(10):5685-91. [PubMed:9488699 ]
  33. Ito Y, Hagihara S, Matsuo I, Totani K: Structural approaches to the study of oligosaccharides in glycoprotein quality control. Curr Opin Struct Biol. 2005 Oct;15(5):481-9. [PubMed:16154739 ]
  34. Jack DL, Klein NJ, Turner MW: Mannose-binding lectin: targeting the microbial world for complement attack and opsonophagocytosis. Immunol Rev. 2001 Apr;180:86-99. [PubMed:11414367 ]
  35. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
  36. Sharma V, Ichikawa M, Freeze HH: Mannose metabolism: more than meets the eye. Biochem Biophys Res Commun. 2014 Oct 17;453(2):220-8. doi: 10.1016/j.bbrc.2014.06.021. Epub 2014 Jun 12. [PubMed:24931670 ]
  37. Klein T, Abgottspon D, Wittwer M, Rabbani S, Herold J, Jiang X, Kleeb S, Luthi C, Scharenberg M, Bezencon J, Gubler E, Pang L, Smiesko M, Cutting B, Schwardt O, Ernst B: FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. J Med Chem. 2010 Dec 23;53(24):8627-41. doi: 10.1021/jm101011y. Epub 2010 Nov 24. [PubMed:21105658 ]

Only showing the first 10 proteins. There are 50 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Phospholipase A2
General function:
Involved in phospholipase A2 activity
Specific function:
PA2 catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-phosphoglycerides.
Gene Name:
PLA2G1B
Uniprot ID:
P04054
Molecular weight:
16359.535
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
2. Prostatic acid phosphatase
General function:
Involved in acid phosphatase activity
Specific function:
A non-specific tyrosine phosphatase that dephosphorylates a diverse number of substrates under acidic conditions (pH 4-6) including alkyl, aryl, and acyl orthophosphate monoesters and phosphorylated proteins. Has lipid phosphatase activity and inactivates lysophosphatidic acid in seminal plasma. Isoform 2: the cellular form also has ecto-5'-nucleotidase activity in dorsal root ganglion (DRG) neurons. Generates adenosine from AMP which acts as a pain suppressor. Acts as a tumor suppressor of prostate cancer through dephosphorylation of ERBB2 and deactivation of MAPK-mediated signaling.
Gene Name:
ACPP
Uniprot ID:
P15309
Molecular weight:
44565.715
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
3. Glucokinase
General function:
Involved in ATP binding
Specific function:
Catalyzes the initial step in utilization of glucose by the beta-cell and liver at physiological glucose concentration. Glucokinase has a high Km for glucose, and so it is effective only when glucose is abundant. The role of GCK is to provide G6P for the synthesis of glycogen. Pancreatic glucokinase plays an important role in modulating insulin secretion. Hepatic glucokinase helps to facilitate the uptake and conversion of glucose by acting as an insulin-sensitive determinant of hepatic glucose usage.
Gene Name:
GCK
Uniprot ID:
P35557
Molecular weight:
52191.07
Enzyme Details
4. Hexokinase-3
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK3
Uniprot ID:
P52790
Molecular weight:
99024.56
Reactions
Adenosine triphosphate + D-Mannose → ADP + Mannose 6-phosphatedetails
Enzyme Details
5. Hexokinase-2
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK2
Uniprot ID:
P52789
Molecular weight:
102379.06
Reactions
Adenosine triphosphate + D-Mannose → ADP + Mannose 6-phosphatedetails
Enzyme Details
6. Hexokinase-1
General function:
Involved in ATP binding
Specific function:
Not Available
Gene Name:
HK1
Uniprot ID:
P19367
Molecular weight:
102485.1
Reactions
Adenosine triphosphate + D-Mannose → ADP + Mannose 6-phosphatedetails
Enzyme Details
7. Lactase-phlorizin hydrolase
General function:
Involved in hydrolase activity, hydrolyzing O-glycosyl compounds
Specific function:
LPH splits lactose in the small intestine.
Gene Name:
LCT
Uniprot ID:
P09848
Molecular weight:
218584.77
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
8. Deoxyribonuclease-1
General function:
Involved in deoxyribonuclease activity
Specific function:
Among other functions, seems to be involved in cell death by apoptosis. Binds specifically to G-actin and blocks actin polymerization
Gene Name:
DNASE1
Uniprot ID:
P24855
Molecular weight:
31433.4
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
9. Liver carboxylesterase 1
General function:
Lipid transport and metabolism
Specific function:
Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.
Gene Name:
CES1
Uniprot ID:
P23141
Molecular weight:
62520.62
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
10. Cholinesterase
General function:
Involved in carboxylesterase activity
Specific function:
Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.
Gene Name:
BCHE
Uniprot ID:
P06276
Molecular weight:
68417.575
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]

Only showing the first 10 proteins. There are 50 proteins in total.

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