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Showing metabocard for Mannitol (HMDB0000765)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencestransporters (1) Show 1 proteinXML
transporters (1) Show 1 protein
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
Data?1676999709
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
ValueSource
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaolChEBI
(2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexolChEBI
D-(-)-MannitolChEBI
DulciteChEBI
e 421ChEBI
e-421ChEBI
e421ChEBI
Manna sugarChEBI
ManniteChEBI
OsmitrolChEBI
D-MannitolKegg
TobrexKegg
BronchitolKegg
1,2,3,4,5,6-HexanehexolHMDB
CordycepateHMDB
Cordycepic acidHMDB
DiosmolHMDB
HexahydroxyhexaneHMDB
HexanhexolHMDB
InvenexHMDB
IsotolHMDB
ManicolHMDB
Maniton SHMDB
Maniton-SHMDB
MannazuckerHMDB
MannidexHMDB
MannigenHMDB
MannistolHMDB
MannitHMDB
Mannit pHMDB
Mannogem 2080HMDB
Marine crystalHMDB
Mushroom sugarHMDB
OsmofundinHMDB
OsmosalHMDB
ResectisolHMDB
SDM No. 35HMDB
(L)-MannitolHMDB
MannitolChEBI
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
PropertyValueSource
Water Solubility229 g/LALOGPS
logP-2.7ALOGPS
logP-3.7ChemAxon
logS0.1ALOGPS
pKa (Strongest Acidic)12.59ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity38.4 m³·mol⁻¹ChemAxon
Polarizability17.04 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+141.03231661259
DarkChem[M-H]-134.88231661259
AllCCS[M+H]+141.59732859911
AllCCS[M-H]-132.92532859911
DeepCCS[M+H]+146.3230932474
DeepCCS[M-H]-143.92430932474
DeepCCS[M-2H]-177.12830932474
DeepCCS[M+Na]+152.23230932474
AllCCS[M+H]+141.632859911
AllCCS[M+H-H2O]+137.832859911
AllCCS[M+NH4]+145.132859911
AllCCS[M+Na]+146.132859911
AllCCS[M-H]-132.932859911
AllCCS[M+Na-2H]-134.432859911
AllCCS[M+HCOO]-136.032859911

Predicted Kovats Retention Indices

Underivatized

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

Derivatized

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

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Mannitol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (6 TMS)splash10-0ktb-0931000000-b481d576c5f24dd1b1d52014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-066s-0942000000-20043a375d72ca08dce92014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol GC-MS (6 TMS)splash10-066r-1974000000-38a4beaca17ab8c750b62014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol EI-B (Non-derivatized)splash10-0229-9100000000-5655e9df8e0fdcaa72a02017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol EI-B (Non-derivatized)splash10-001i-9200000000-0dad802ab0000303cb332017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol GC-EI-TOF (Non-derivatized)splash10-0ktb-0931000000-b481d576c5f24dd1b1d52017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol GC-EI-TOF (Non-derivatized)splash10-066s-0942000000-20043a375d72ca08dce92017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol GC-MS (Non-derivatized)splash10-066r-1974000000-38a4beaca17ab8c750b62017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Mannitol GC-EI-TOF (Non-derivatized)splash10-066s-0942000000-f4df881aeebac32de5c72017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (Non-derivatized) - 70eV, Positivesplash10-03k9-9500000000-97c5853d3e9b96f9d0542016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (6 TMS) - 70eV, Positivesplash10-0a6s-7141193000-dcd9245e12314ee0ced42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Mannitol GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-00di-9000000000-d5db4fbf6c1eb9dd35642018-05-25Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-014j-9600000000-26f4335f7ef7c81ca2612012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-066r-9000000000-73db1fbd51fb8c061bec2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-05mo-9000000000-45a4dea1d21286c4b8da2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Negative-QTOFsplash10-0089-6900000000-961d76d6550bc342ffa12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol LC-ESI-QTOF , negative-QTOFsplash10-0089-6900000000-061f88989a6ac71321e32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Linear Ion Trap , negative-QTOFsplash10-0ik9-1900000000-eb8ea056f3b1dfe2fb1f2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Linear Ion Trap , negative-QTOFsplash10-03di-1900000000-6768b4744e1a4e56b18b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol LC-ESI-ITFT , positive-QTOFsplash10-00kb-1900000000-0765563624accf132d032017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Linear Ion Trap , positive-QTOFsplash10-00dr-0900000000-e159f4e76b7847313f352017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Linear Ion Trap , positive-QTOFsplash10-0900-0910000000-8d56394cbc78dd3b5ca02017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Linear Ion Trap , positive-QTOFsplash10-0079-0900000000-63517bff4abfbf09e1ca2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol Linear Ion Trap , positive-QTOFsplash10-0w2l-0940000000-dc20c851073dcbc4dba92017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 10V, Negative-QTOFsplash10-05ar-9500000000-c82bc4e2d1e173359c3e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 20V, Negative-QTOFsplash10-0ab9-9000000000-47357f9a38864cba96682021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 20V, Positive-QTOFsplash10-066r-9000000000-9cd6979ccf800d067e032021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 10V, Positive-QTOFsplash10-02tj-9400000000-b72fa250b3caa4a876822021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 40V, Positive-QTOFsplash10-05mo-9000000000-fc27b5c54b0dd6fc8a392021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 10V, Positive-QTOFsplash10-014i-9100000000-0436dafd7f39b7c910e92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Mannitol 40V, Positive-QTOFsplash10-066u-9000000000-fb4a8654ee07a1dcc56c2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannitol 10V, Positive-QTOFsplash10-001i-2900000000-ef92b9091ecf5d15cdee2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannitol 20V, Positive-QTOFsplash10-03di-9300000000-47f19bd4e51bff7265362016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannitol 40V, Positive-QTOFsplash10-03dl-9100000000-60d5147d8e349337fe972016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannitol 10V, Negative-QTOFsplash10-07ju-8900000000-36f0fe0f346a6424162a2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannitol 20V, Negative-QTOFsplash10-0c0c-9200000000-36e85b5ec098a45204c32016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Mannitol 40V, Negative-QTOFsplash10-0btc-9000000000-77703ee971336704163f2016-09-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Epidermis
  • Placenta
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified<7.143 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified34.0 +/- 18.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified4.49 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4.8 +/- 2.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified5.6 +/-1.7 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4.61 (3.30-5.92) uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified62.692 +/- 69.964 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified10.26 +/- 9.14 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
UrineDetected and Quantified120.0 (0.0-245.0) umol/mmol creatinineChildren (1-13 years old)BothNormal
    • Geigy Scientific ...
 details
UrineDetected and Quantified32.4 (5.2-85.1) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified1.63 (1.14-2.12) uMAdult (>18 years old)Both
Cytochrome C oxidase deficiency		 details
BloodDetected and Quantified142.857 +/- 137.363 uMAdult (>18 years old)Both
Uremia		 details
BloodDetected and Quantified2.0 (0.0-5.0) uMAdult (>18 years old)BothRibose-5-phosphate isomerase deficiency details
Cerebrospinal Fluid (CSF)Detected and Quantified5.6 +/-1.1 uMAdult (>18 years old)BothAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified5.54 +/- 0.82 uMNot SpecifiedNot SpecifiedAlzheimer's disease details
Cerebrospinal Fluid (CSF)Detected and Quantified48.9 (8.24-144) uMAdult (>18 years old)Both
AIDS		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Cryptosporidium infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
UrineDetected and Quantified116.989 +/- 152.291 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Cardiosvacular risk		 details
UrineDetected and Quantified41.0 (0.0-486.0) umol/mmol creatinineNot SpecifiedBothLung cancer details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
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)Download (PDF)
General References
  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 ]
  2. Polderman KH, van de Kraats G, Dixon JM, Vandertop WP, Girbes AR: Increases in spinal fluid osmolarity induced by mannitol. Crit Care Med. 2003 Feb;31(2):584-90. [PubMed:12576970 ]
  3. Zunkeler B, Carson RE, Olson J, Blasberg RG, DeVroom H, Lutz RJ, Saris SC, Wright DC, Kammerer W, Patronas NJ, Dedrick RL, Herscovitch P, Oldfield EH: Quantification and pharmacokinetics of blood-brain barrier disruption in humans. J Neurosurg. 1996 Dec;85(6):1056-65. [PubMed:8929495 ]
  4. Dreher F, Patouillet C, Fouchard F, Zanini M, Messager A, Roguet R, Cottin M, Leclaire J, Benech-Kieffer F: Improvement of the experimental setup to assess cutaneous bioavailability on human skin models: dynamic protocol. Skin Pharmacol Appl Skin Physiol. 2002;15 Suppl 1:31-9. [PubMed:12476007 ]
  5. Schramm-Baxter J, Mitragotri S: Needle-free jet injections: dependence of jet penetration and dispersion in the skin on jet power. J Control Release. 2004 Jul 7;97(3):527-35. [PubMed:15212884 ]
  6. 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 ]
  7. Koskela HO, Hyvarinen L, Brannan JD, Chan HK, Anderson SD: Responsiveness to three bronchial provocation tests in patients with asthma. Chest. 2003 Dec;124(6):2171-7. [PubMed:14665497 ]
  8. Zhao G, Wang CY, Wang F, Xiong JX: Clinical study on nutrition support in patients with severe acute pancreatitis. World J Gastroenterol. 2003 Sep;9(9):2105-8. [PubMed:12970916 ]
  9. Kiyoshima A, Kudo K, Hino Y, Ikeda N: Sensitive and simple determination of mannitol in human brain tissues by gas chromatography-mass spectrometry. J Chromatogr B Biomed Sci Appl. 2001 Jul 5;758(1):103-8. [PubMed:11482728 ]
  10. Ware ML, Nemani VM, Meeker M, Lee C, Morabito DJ, Manley GT: Effects of 23.4% sodium chloride solution in reducing intracranial pressure in patients with traumatic brain injury: a preliminary study. Neurosurgery. 2005 Oct;57(4):727-36; discussion 727-36. [PubMed:16239885 ]
  11. Tang H, Blankschtein D, Langer R: Effects of low-frequency ultrasound on the transdermal permeation of mannitol: comparative studies with in vivo and in vitro skin. J Pharm Sci. 2002 Aug;91(8):1776-94. [PubMed:12115805 ]
  12. Graefe H, Gutschow B, Gehring H, Dibbelt L: Sensitive and specific photometric determination of mannitol in human serum. Clin Chem Lab Med. 2003 Aug;41(8):1049-55. [PubMed:12964813 ]
  13. Koskela HO, Hyvarinen L, Brannan JD, Chan HK, Anderson SD: Sensitivity and validity of three bronchial provocation tests to demonstrate the effect of inhaled corticosteroids in asthma. Chest. 2003 Oct;124(4):1341-9. [PubMed:14555564 ]
  14. Barben J, Roberts M, Chew N, Carlin JB, Robertson CF: Repeatability of bronchial responsiveness to mannitol dry powder in children with asthma. Pediatr Pulmonol. 2003 Dec;36(6):490-4. [PubMed:14618640 ]
  15. Keating FK, Sobel BE, Schneider DJ: Effects of increased concentrations of glucose on platelet reactivity in healthy subjects and in patients with and without diabetes mellitus. Am J Cardiol. 2003 Dec 1;92(11):1362-5. [PubMed:14636925 ]
  16. Kiyoshima A, Kudo K, Goto Y, Tobimatsu S, Ikeda N: Changes of the cerebral mannitol concentrations in the course of brain death of a rodent model. Leg Med (Tokyo). 2004 Apr;6(2):117-24. [PubMed:15039055 ]
  17. Koskela HO, Hyvarinen L, Brannan JD, Chan HK, Anderson SD: Coughing during mannitol challenge is associated with asthma. Chest. 2004 Jun;125(6):1985-92. [PubMed:15189912 ]
  18. Rikitake Y, Liao JK: Rho-kinase mediates hyperglycemia-induced plasminogen activator inhibitor-1 expression in vascular endothelial cells. Circulation. 2005 Jun 21;111(24):3261-8. Epub 2005 Jun 13. [PubMed:15956119 ]
  19. Lee J, Chung BC: Simultaneous measurement of urinary polyols using gas chromatography/mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2006 Feb 2;831(1-2):126-31. Epub 2005 Dec 13. [PubMed:16356788 ]
  20. Wang YM, van Eys J: Nutritional significance of fructose and sugar alcohols. Annu Rev Nutr. 1981;1:437-75. [PubMed:6821187 ]
  21. Cruz J, Minoja G, Okuchi K: Improving clinical outcomes from acute subdural hematomas with the emergency preoperative administration of high doses of mannitol: a randomized trial. Neurosurgery. 2001 Oct;49(4):864-71. [PubMed:11564247 ]
  22. Cruz J, Minoja G, Okuchi K: Major clinical and physiological benefits of early high doses of mannitol for intraparenchymal temporal lobe hemorrhages with abnormal pupillary widening: a randomized trial. Neurosurgery. 2002 Sep;51(3):628-37; discussion 637-8. [PubMed:12188940 ]
  23. Cruz J, Minoja G, Okuchi K, Facco E: Successful use of the new high-dose mannitol treatment in patients with Glasgow Coma Scale scores of 3 and bilateral abnormal pupillary widening: a randomized trial. J Neurosurg. 2004 Mar;100(3):376-83. [PubMed:15035271 ]
  24. Wakai A, Roberts I, Schierhout G: Mannitol for acute traumatic brain injury. Cochrane Database Syst Rev. 2005 Oct 19;(4):CD001049. [PubMed:16235278 ]
  25. Roberts I, Smith R, Evans S: Doubts over head injury studies. BMJ. 2007 Feb 24;334(7590):392-4. [PubMed:17322250 ]
  26. Wisselink HW, Mars AE, van der Meer P, Eggink G, Hugenholtz J: Metabolic engineering of mannitol production in Lactococcus lactis: influence of overexpression of mannitol 1-phosphate dehydrogenase in different genetic backgrounds. Appl Environ Microbiol. 2004 Jul;70(7):4286-92. doi: 10.1128/AEM.70.7.4286-4292.2004. [PubMed:15240312 ]
  27. Zhang M, Gu L, Cheng C, Ma J, Xin F, Liu J, Wu H, Jiang M: Recent advances in microbial production of mannitol: utilization of low-cost substrates, strain development and regulation strategies. World J Microbiol Biotechnol. 2018 Feb 26;34(3):41. doi: 10.1007/s11274-018-2425-8. [PubMed:29480337 ]
  28. 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 ]
  29. Song SH, Vieille C: Recent advances in the biological production of mannitol. Appl Microbiol Biotechnol. 2009 Aug;84(1):55-62. doi: 10.1007/s00253-009-2086-5. Epub 2009 Jul 4. [PubMed:19578847 ]

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 ]