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Showing metabocard for Mannitol (HMDB0000765)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:09 UTC
HMDB IDHMDB0000765
Secondary Accession Numbers
  • HMDB0001363
  • HMDB00765
  • HMDB01363
Metabolite Identification
Common NameMannitol
DescriptionMannitol, or hexan-1,2,3,4,5,6-hexol (C6H8(OH)6), is an alcohol and a sugar (sugar alcohol), or a polyol, it is a stereoisomer of sorbitol and is similar to the C5 xylitol. The structure of mannitol is made of a straight chain of six carbon atoms, each of which is substituted with a hydroxyl group. Mannitol is one of the most abundant energy and carbon storage molecules in nature, it is produced by a wide range of organisms such as bacteria, fungi and plants (PMID: 19578847 ). In medicine, mannitol is used as a diuretic and renal diagnostic aid. Mannitol has little significant energy value as it is largely eliminated from the body before any metabolism can take place. It can be used to treat oliguria associated with kidney failure or other manifestations of inadequate renal function and has been used for determination of glomerular filtration rate. Mannitol is also commonly used as a research tool in cell biological studies, usually to control osmolarity. Mannitol has a tendency to lose a hydrogen ion in aqueous solutions, which causes the solution to become acidic. For this, it is not uncommon to add a weak base, such as sodium bicarbonate, to the solution to adjust its pH. Mannitol is a non-permeating molecule i.e., it cannot cross biological membranes. Mannitol is an osmotic diuretic agent and a weak renal vasodilator. Mannitol is found to be associated with cytochrome c oxidase deficiency and ribose-5-phosphate isomerase deficiency, which are inborn errors of metabolism. Mannitol is also a microbial metabolite found in Aspergillus, Candida, Clostridium, Gluconobacter, Lactobacillus, Lactococcus, Leuconostoc, Pseudomonas, Rhodobacteraceae, Saccharomyces, Streptococcus, Torulaspora and Zymomonas (PMID: 15240312 ; PMID: 29480337 ).
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000765 (Mannitol)

  Mrv1652309272007452D          

 12 11  0  0  0  0            999 V2000
 9991.0969 9991.6652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9991.8108 9991.2533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9992.5263 9991.6652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.2417 9991.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9551 9991.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5263 9992.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.8108 9990.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.3822 9991.2533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9989.6675 9991.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9529 9991.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.3822 9990.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.0969 9992.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  1  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  6  0  0  0
  9 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000765 (Mannitol)

HMDB0000765
     RDKit          3D
Mannitol
 26 25  0  0  0  0  0  0  0  0999 V2000
    3.0120   -1.2124   -1.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -0.2204   -0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -0.1659    0.4318 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7923    0.1320    1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354    0.8923    0.7554 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1607    2.1566    0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867    0.7804    0.0786 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4840    1.8365    0.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4365   -0.4826    0.2908 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7658   -1.6227   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7039   -0.4029   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4609   -1.5528   -0.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.8395   -0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.4541   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    0.7361   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021   -1.1525    0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5814    0.1160    2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892    0.9142    1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093    2.4183   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767    0.9543   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609    2.4946    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -0.6571    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026   -1.6260   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3213   -0.3921   -1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424    0.5258   -0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9879   -2.1762    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  1
  4 17  1  0
  5 18  1  1
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END
Download

3D SDF for HMDB0000765 (Mannitol)

  Mrv1652309272007452D          

 12 11  0  0  0  0            999 V2000
 9991.0969 9991.6652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9991.8108 9991.2533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9992.5263 9991.6652    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9993.2417 9991.2533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9993.9551 9991.6652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5263 9992.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.8108 9990.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.3822 9991.2533    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9989.6675 9991.6652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9529 9991.2533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9990.3822 9990.4280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9991.0969 9992.4899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  1  0  0  0
  2  3  1  0  0  0  0
  2  7  1  1  0  0  0
  3  4  1  0  0  0  0
  3  6  1  6  0  0  0
  4  5  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  6  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000765

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1

> <INCHI_KEY>
FBPFZTCFMRRESA-KVTDHHQDSA-N

> <FORMULA>
C6H14O6

> <MOLECULAR_WEIGHT>
182.1718

> <EXACT_MASS>
182.07903818

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.040202393955006

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-3.7300188486666666

> <ALOGPS_LOGS>
0.10

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.37874915684328

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.585200956788803

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974211614825128

> <JCHEM_POLAR_SURFACE_AREA>
121.38000000000001

> <JCHEM_REFRACTIVITY>
38.40359999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mannitol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000765 (Mannitol)

HMDB0000765
     RDKit          3D
Mannitol
 26 25  0  0  0  0  0  0  0  0999 V2000
    3.0120   -1.2124   -1.1462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0508   -0.2204   -0.9990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -0.1659    0.4318 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7923    0.1320    1.1837 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6354    0.8923    0.7554 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1607    2.1566    0.4027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6867    0.7804    0.0786 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4840    1.8365    0.5566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4365   -0.4826    0.2908 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7658   -1.6227   -0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7039   -0.4029   -0.5673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4609   -1.5528   -0.3648 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9679   -1.8395   -0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.4541   -1.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4883    0.7361   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3021   -1.1525    0.8083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5814    0.1160    2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4892    0.9142    1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8093    2.4183   -0.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5767    0.9543   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9609    2.4946    1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7230   -0.6571    1.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026   -1.6260   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3213   -0.3921   -1.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2424    0.5258   -0.3641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9879   -2.1762    0.2702 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  1
  4 17  1  0
  5 18  1  1
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  1
 10 23  1  0
 11 24  1  0
 11 25  1  0
 12 26  1  0
M  END
Download

PDB for HMDB0000765 (Mannitol)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8650.0488651.108   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8651.3808650.339   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8652.7168651.108   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8654.0518650.339   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8655.3838651.108   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8652.7168652.648   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0    8651.3808648.799   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0    8648.7148650.339   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8647.3798651.108   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8646.0458650.339   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8648.7148648.799   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8650.0488652.648   0.000  0.00  0.00           O+0
CONECT    1    2    8   12                                                  
CONECT    2    1    3    7                                                  
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    3                                                            
CONECT    7    2                                                            
CONECT    8    1    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8                                                            
CONECT   12    1                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0000765 (Mannitol)

COMPND    HMDB0000765
HETATM    1  O1  UNL     1       3.012  -1.212  -1.146  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.051  -0.220  -0.999  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.629  -0.166   0.432  1.00  0.00           C  
HETATM    4  O2  UNL     1       2.792   0.132   1.184  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.635   0.892   0.755  1.00  0.00           C  
HETATM    6  O3  UNL     1       1.161   2.157   0.403  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.687   0.780   0.079  1.00  0.00           C  
HETATM    8  O4  UNL     1      -1.484   1.836   0.557  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.436  -0.483   0.291  1.00  0.00           C  
HETATM   10  O5  UNL     1      -0.766  -1.623  -0.144  1.00  0.00           O  
HETATM   11  C6  UNL     1      -2.704  -0.403  -0.567  1.00  0.00           C  
HETATM   12  O6  UNL     1      -3.461  -1.553  -0.365  1.00  0.00           O  
HETATM   13  H1  UNL     1       2.968  -1.839  -0.357  1.00  0.00           H  
HETATM   14  H2  UNL     1       1.234  -0.454  -1.701  1.00  0.00           H  
HETATM   15  H3  UNL     1       2.488   0.736  -1.309  1.00  0.00           H  
HETATM   16  H4  UNL     1       1.302  -1.152   0.808  1.00  0.00           H  
HETATM   17  H5  UNL     1       2.581   0.116   2.146  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.489   0.914   1.848  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.809   2.418  -0.479  1.00  0.00           H  
HETATM   20  H8  UNL     1      -0.577   0.954  -1.007  1.00  0.00           H  
HETATM   21  H9  UNL     1      -0.961   2.495   1.073  1.00  0.00           H  
HETATM   22  H10 UNL     1      -1.723  -0.657   1.349  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.803  -1.626  -1.128  1.00  0.00           H  
HETATM   24  H12 UNL     1      -2.321  -0.392  -1.628  1.00  0.00           H  
HETATM   25  H13 UNL     1      -3.242   0.526  -0.364  1.00  0.00           H  
HETATM   26  H14 UNL     1      -2.988  -2.176   0.270  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   14   15
CONECT    3    4    5   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   24   25
CONECT   12   26
END
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SMILES for HMDB0000765 (Mannitol)

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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INCHI for HMDB0000765 (Mannitol)

InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
Chemical FormulaC6H14O6
Average Molecular Weight182.1718
Monoisotopic Molecular Weight182.07903818
IUPAC Name(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
Traditional Namemannitol
CAS Registry Number69-65-8
SMILES
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Identifier
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChI KeyFBPFZTCFMRRESA-KVTDHHQDSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentSugar alcohols
Alternative Parents
Substituents
  • Sugar alcohol
  • Monosaccharide
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Industrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point166 °CNot Available
Boiling Point290.00 to 295.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility216 mg/mL at 25 °CYALKOWSKY,SH & DANNENFELSER,RM (1992)
LogP-3.10HANSCH,C ET AL. (1995)
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Astarita_neg131.030932474
[M-H]-Not Available131.3http://allccs.zhulab.cn/database/detail?ID=AllCCS00000414
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Epidermis
  • Placenta
Pathways
Normal Concentrations
Abnormal Concentrations
Associated Disorders and Diseases
Disease References
Cytochrome C oxidase deficiency
  1. Shetty HU, Holloway HW, Rapoport SI: Capillary gas chromatography combined with ion trap detection for quantitative profiling of polyols in cerebrospinal fluid and plasma. Anal Biochem. 1995 Jan 1;224(1):279-85. [PubMed:7710082 ]
Ribose-5-phosphate isomerase deficiency
  1. Huck JH, Verhoeven NM, Struys EA, Salomons GS, Jakobs C, van der Knaap MS: Ribose-5-phosphate isomerase deficiency: new inborn error in the pentose phosphate pathway associated with a slowly progressive leukoencephalopathy. Am J Hum Genet. 2004 Apr;74(4):745-51. Epub 2004 Feb 25. [PubMed:14988808 ]
Uremia
  1. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
AIDS
  1. Megson GM, Stevens DA, Hamilton JR, Denning DW: D-mannitol in cerebrospinal fluid of patients with AIDS and cryptococcal meningitis. J Clin Microbiol. 1996 Jan;34(1):218-21. [PubMed:8748311 ]
Alzheimer's disease
  1. Shetty HU, Holloway HW, Schapiro MB: Cerebrospinal fluid and plasma distribution of myo-inositol and other polyols in Alzheimer disease. Clin Chem. 1996 Feb;42(2):298-302. [PubMed:8595727 ]
Colorectal cancer
  1. 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 ]
Lung Cancer
  1. Wishart DS, Knox C, Guo AC, Eisner R, Young N, Gautam B, Hau DD, Psychogios N, Dong E, Bouatra S, Mandal R, Sinelnikov I, Xia J, Jia L, Cruz JA, Lim E, Sobsey CA, Shrivastava S, Huang P, Liu P, Fang L, Peng J, Fradette R, Cheng D, Tzur D, Clements M, Lewis A, De Souza A, Zuniga A, Dawe M, Xiong Y, Clive D, Greiner R, Nazyrova A, Shaykhutdinov R, Li L, Vogel HJ, Forsythe I: HMDB: a knowledgebase for the human metabolome. Nucleic Acids Res. 2009 Jan;37(Database issue):D603-10. doi: 10.1093/nar/gkn810. Epub 2008 Oct 25. [PubMed:18953024 ]
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 IDDB00742
Phenol Explorer Compound IDNot Available
FooDB IDFDB112364
KNApSAcK IDC00001165
Chemspider ID6015
KEGG Compound IDC00392
BioCyc IDMANNITOL
BiGG IDNot Available
Wikipedia LinkMannitol
METLIN ID142
PubChem Compound6251
PDB IDNot Available
ChEBI ID16899
Food Biomarker OntologyNot Available
VMH IDC01507
MarkerDB IDMDB00000248
Good Scents IDrw1030941
References
Synthesis ReferenceZhang, Chaohui; Wang, Jianping; He, Junlin. Preparation of mannitol from sucrose with high yield. Faming Zhuanli Shenqing Gongkai Shuomingshu (2005), 11 pp.
Material Safety Data Sheet (MSDS)Not Available
General References

Transporters

Enzyme Details
1. Multidrug resistance protein 1
General function:
Involved in ATP binding
Specific function:
Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells
Gene Name:
ABCB1
Uniprot ID:
P08183
Molecular weight:
141477.3
References
  1. Faassen F, Vogel G, Spanings H, Vromans H: Caco-2 permeability, P-glycoprotein transport ratios and brain penetration of heterocyclic drugs. Int J Pharm. 2003 Sep 16;263(1-2):113-22. [PubMed:12954186 ]