Hmdb loader

Showing metabocard for L-Sorbose (HMDB0001266)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (1) Show 1 proteinXML
enzymes (1) Show 1 protein
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2022-03-07 02:49:09 UTC
HMDB IDHMDB0001266
Secondary Accession Numbers
  • HMDB01266
Metabolite Identification
Common NameL-Sorbose
DescriptionL-Sorbose, also known as L-sorbinose or L-xylo-hexulose, belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. L-Sorbose exists in all living species, ranging from bacteria to humans. The commercial production of vitamin C (ascorbic acid) often begins with sorbose. L-Sorbose (CAS: 87-79-6) is a ketose belonging to the group of sugars known as monosaccharides. Sorbose has been found to be a metabolite of Ketogulonicigenium (PMID:15785002 ).
Structure
Data?1582752188
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001266 (L-Sorbose)


  Mrv1652305271900192D          

 12 12  0  0  1  0            999 V2000
   15.5117   -6.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612   -7.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9610   -6.9682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6867   -6.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466   -6.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321   -6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321   -7.7932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8177   -8.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466   -8.2057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2466   -9.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9610   -7.7932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6755   -8.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
M  END
Download

3D MOL for HMDB0001266 (L-Sorbose)

HMDB0001266
     RDKit          3D
L-Sorbose
 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.7116   -0.7039   -0.8814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -0.7829    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098    0.4001    0.3683 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8410    1.5485    0.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    0.4650    1.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -0.3086    1.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.7066    0.4032 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7990   -1.0125    0.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.4908   -0.5324 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0854    0.4175   -1.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    0.4282   -0.8896 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5618    1.4274   -1.7684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6084   -1.1193   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6901   -0.7670    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101   -1.7514    0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    2.2622   -0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5359    0.2951    2.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244   -1.2235    2.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662   -1.5774   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -1.2131    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029    1.4229    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    1.3253   -2.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -0.5448   -1.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    1.2280   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  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
  4 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
Download

3D SDF for HMDB0001266 (L-Sorbose)


  Mrv1652305271900192D          

 12 12  0  0  1  0            999 V2000
   15.5117   -6.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612   -7.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9610   -6.9682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.6867   -6.1333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466   -6.5557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321   -6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5321   -7.7932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8177   -8.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2466   -8.2057    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.2466   -9.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9610   -7.7932    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6755   -8.2057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  1  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  7  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0001266

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1

> <INCHI_KEY>
LKDRXBCSQODPBY-BGPJRJDNSA-N

> <FORMULA>
C6H12O6

> <MOLECULAR_WEIGHT>
180.1559

> <EXACT_MASS>
180.063388116

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.051261078337298

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.51

> <JCHEM_LOGP>
-2.7579993179999995

> <ALOGPS_LOGS>
0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.643871080491373

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.291030669254257

> <JCHEM_PKA_STRONGEST_BASIC>
-3.450704169945884

> <JCHEM_POLAR_SURFACE_AREA>
110.38000000000001

> <JCHEM_REFRACTIVITY>
36.3608

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.19e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-L-sorbopyranose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0001266 (L-Sorbose)

HMDB0001266
     RDKit          3D
L-Sorbose
 24 24  0  0  0  0  0  0  0  0999 V2000
   -2.7116   -0.7039   -0.8814 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   -0.7829    0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0098    0.4001    0.3683 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8410    1.5485    0.3268 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3209    0.4650    1.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7740   -0.3086    1.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4680   -0.7066    0.4032 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7990   -1.0125    0.5933 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2814    0.4908   -0.5324 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0854    0.4175   -1.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2069    0.4282   -0.8896 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5618    1.4274   -1.7684 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6084   -1.1193   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6901   -0.7670    1.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4101   -1.7514    0.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3802    2.2622   -0.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5359    0.2951    2.2647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6244   -1.2235    2.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9662   -1.5774   -0.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0303   -1.2131    1.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5029    1.4229    0.0336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    1.3253   -2.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3248   -0.5448   -1.4408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    1.2280   -2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  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
  4 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  6
  8 20  1  0
  9 21  1  1
 10 22  1  0
 11 23  1  6
 12 24  1  0
M  END
Download

PDB for HMDB0001266 (L-Sorbose)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1  O   UNK     0      28.955 -12.604   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      27.554 -13.696   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      26.061 -13.007   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      27.415 -11.449   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      24.727 -12.237   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      23.393 -13.007   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      23.393 -14.547   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      22.060 -15.317   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      24.727 -15.317   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      24.727 -16.857   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      26.061 -14.547   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      27.394 -15.317   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   11                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    3    9   12                                                  
CONECT   12   11                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   24    0
END
Download

3D PDB for HMDB0001266 (L-Sorbose)

COMPND    HMDB0001266
HETATM    1  O1  UNL     1      -2.712  -0.704  -0.881  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.981  -0.783   0.308  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.010   0.400   0.368  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.841   1.549   0.327  1.00  0.00           O  
HETATM    5  O3  UNL     1      -0.321   0.465   1.527  1.00  0.00           O  
HETATM    6  C3  UNL     1       0.774  -0.309   1.686  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.468  -0.707   0.403  1.00  0.00           C  
HETATM    8  O4  UNL     1       2.799  -1.012   0.593  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.281   0.491  -0.532  1.00  0.00           C  
HETATM   10  O5  UNL     1       2.085   0.418  -1.638  1.00  0.00           O  
HETATM   11  C6  UNL     1      -0.207   0.428  -0.890  1.00  0.00           C  
HETATM   12  O6  UNL     1      -0.562   1.427  -1.768  1.00  0.00           O  
HETATM   13  H1  UNL     1      -3.608  -1.119  -0.693  1.00  0.00           H  
HETATM   14  H2  UNL     1      -2.690  -0.767   1.160  1.00  0.00           H  
HETATM   15  H3  UNL     1      -1.410  -1.751   0.254  1.00  0.00           H  
HETATM   16  H4  UNL     1      -1.380   2.262  -0.181  1.00  0.00           H  
HETATM   17  H5  UNL     1       1.536   0.295   2.265  1.00  0.00           H  
HETATM   18  H6  UNL     1       0.624  -1.224   2.316  1.00  0.00           H  
HETATM   19  H7  UNL     1       0.966  -1.577  -0.058  1.00  0.00           H  
HETATM   20  H8  UNL     1       3.030  -1.213   1.530  1.00  0.00           H  
HETATM   21  H9  UNL     1       1.503   1.423   0.034  1.00  0.00           H  
HETATM   22  H10 UNL     1       2.123   1.325  -2.044  1.00  0.00           H  
HETATM   23  H11 UNL     1      -0.325  -0.545  -1.441  1.00  0.00           H  
HETATM   24  H12 UNL     1      -0.145   1.228  -2.645  1.00  0.00           H  
CONECT    1    2   13
CONECT    2    3   14   15
CONECT    3    4    5   11
CONECT    4   16
CONECT    5    6
CONECT    6    7   17   18
CONECT    7    8    9   19
CONECT    8   20
CONECT    9   10   11   21
CONECT   10   22
CONECT   11   12   23
CONECT   12   24
END
Download

SMILES for HMDB0001266 (L-Sorbose)

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

INCHI for HMDB0001266 (L-Sorbose)

InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
Download
View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
alpha-L-SorbopyranoseHMDB
Hex-2-uloseHMDB
L(-) Sorbose for biochemistryHMDB
L(-)-SorboseHMDB
L-(-)-SorboseHMDB
L-(-)-Sorbose 99%HMDB
L-1,3,4,5,6-Pentahydroxyhexan-2-oneHMDB
L-SorbinoseHMDB
L-Xylo-2-hexuloseHMDB
L-Xylo-hexuloseHMDB
SorbinHMDB
SorbinoseHMDB
SorboseHMDB
Xylo-hexuloseHMDB
alpha-L-Xylo-hexopyranos-2-uloseHMDB
Α-L-xylo-hexopyranos-2-uloseHMDB
Α-L-sorbopyranoseHMDB
a-L-SorbopyranoseHMDB
Chemical FormulaC6H12O6
Average Molecular Weight180.1559
Monoisotopic Molecular Weight180.063388116
IUPAC Name(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
Traditional Nameα-L-sorbopyranose
CAS Registry Number470-15-5
SMILES
OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6+/m0/s1
InChI KeyLKDRXBCSQODPBY-BGPJRJDNSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentMonosaccharides
Alternative Parents
Substituents
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point165 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility360 mg/mL at 17 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1190 g/LALOGPS
logP-2.5ALOGPS
logP-2.8ChemAxon
logS0.82ALOGPS
pKa (Strongest Acidic)10.29ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area110.38 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity36.36 m³·mol⁻¹ChemAxon
Polarizability16.05 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
DarkChem[M+H]+140.55531661259
DarkChem[M-H]-134.4731661259
AllCCS[M+H]+140.43332859911
AllCCS[M-H]-131.72432859911
DeepCCS[M+H]+137.90230932474
DeepCCS[M-H]-135.62830932474
DeepCCS[M-2H]-170.12330932474
DeepCCS[M+Na]+144.31730932474
AllCCS[M+H]+140.432859911
AllCCS[M+H-H2O]+136.232859911
AllCCS[M+NH4]+144.432859911
AllCCS[M+Na]+145.632859911
AllCCS[M-H]-131.732859911
AllCCS[M+Na-2H]-132.732859911
AllCCS[M+HCOO]-133.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
L-SorboseOC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O3403.1Standard polar33892256
L-SorboseOC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O1861.1Standard non polar33892256
L-SorboseOC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O1643.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
L-Sorbose,1TMS,isomer #1C[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O1753.0Semi standard non polar33892256
L-Sorbose,1TMS,isomer #2C[Si](C)(C)O[C@]1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O1742.4Semi standard non polar33892256
L-Sorbose,1TMS,isomer #3C[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O)[C@@H]1O1751.6Semi standard non polar33892256
L-Sorbose,1TMS,isomer #4C[Si](C)(C)O[C@@H]1[C@@H](O)CO[C@](O)(CO)[C@H]1O1737.4Semi standard non polar33892256
L-Sorbose,1TMS,isomer #5C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)CO[C@]1(O)CO1753.5Semi standard non polar33892256
L-Sorbose,2TMS,isomer #1C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O)[C@@H](O)[C@@H]1O1727.3Semi standard non polar33892256
L-Sorbose,2TMS,isomer #10C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)CO[C@]1(O)CO1704.1Semi standard non polar33892256
L-Sorbose,2TMS,isomer #2C[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1731.9Semi standard non polar33892256
L-Sorbose,2TMS,isomer #3C[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1737.4Semi standard non polar33892256
L-Sorbose,2TMS,isomer #4C[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1727.9Semi standard non polar33892256
L-Sorbose,2TMS,isomer #5C[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O1744.2Semi standard non polar33892256
L-Sorbose,2TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](O)CO[C@@](CO)(O[Si](C)(C)C)[C@H]1O1734.5Semi standard non polar33892256
L-Sorbose,2TMS,isomer #7C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)CO[C@@]1(CO)O[Si](C)(C)C1733.8Semi standard non polar33892256
L-Sorbose,2TMS,isomer #8C[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H]1O1723.2Semi standard non polar33892256
L-Sorbose,2TMS,isomer #9C[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O)[C@@H]1O[Si](C)(C)C1689.0Semi standard non polar33892256
L-Sorbose,3TMS,isomer #1C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O1750.3Semi standard non polar33892256
L-Sorbose,3TMS,isomer #10C[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1698.2Semi standard non polar33892256
L-Sorbose,3TMS,isomer #2C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O1767.8Semi standard non polar33892256
L-Sorbose,3TMS,isomer #3C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C1738.1Semi standard non polar33892256
L-Sorbose,3TMS,isomer #4C[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1713.8Semi standard non polar33892256
L-Sorbose,3TMS,isomer #5C[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1747.4Semi standard non polar33892256
L-Sorbose,3TMS,isomer #6C[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1743.9Semi standard non polar33892256
L-Sorbose,3TMS,isomer #7C[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1741.2Semi standard non polar33892256
L-Sorbose,3TMS,isomer #8C[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1733.3Semi standard non polar33892256
L-Sorbose,3TMS,isomer #9C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O)CO[C@@]1(CO)O[Si](C)(C)C1754.2Semi standard non polar33892256
L-Sorbose,4TMS,isomer #1C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O1780.3Semi standard non polar33892256
L-Sorbose,4TMS,isomer #2C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C1789.0Semi standard non polar33892256
L-Sorbose,4TMS,isomer #3C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1828.2Semi standard non polar33892256
L-Sorbose,4TMS,isomer #4C[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1767.7Semi standard non polar33892256
L-Sorbose,4TMS,isomer #5C[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1784.8Semi standard non polar33892256
L-Sorbose,5TMS,isomer #1C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1903.7Semi standard non polar33892256
L-Sorbose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O2006.5Semi standard non polar33892256
L-Sorbose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@]1(CO)OC[C@H](O)[C@@H](O)[C@@H]1O2009.8Semi standard non polar33892256
L-Sorbose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O)[C@@H]1O1988.6Semi standard non polar33892256
L-Sorbose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)CO[C@](O)(CO)[C@H]1O1962.2Semi standard non polar33892256
L-Sorbose,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)CO[C@]1(O)CO1973.6Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@H](O)[C@@H](O)[C@@H]1O2193.5Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)CO[C@]1(O)CO2159.5Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2199.5Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2185.6Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2185.4Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2204.7Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)CO[C@@](CO)(O[Si](C)(C)C(C)(C)C)[C@H]1O2186.0Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O)CO[C@@]1(CO)O[Si](C)(C)C(C)(C)C2181.9Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2176.1Semi standard non polar33892256
L-Sorbose,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2151.5Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O2432.5Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H]1CO[C@](O)(CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2409.5Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2427.2Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2413.2Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2419.6Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2436.8Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2430.6Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O2421.9Semi standard non polar33892256
L-Sorbose,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H]1CO[C@@](CO)(O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2431.1Semi standard non polar33892256
L-Sorbose,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)CO[C@@]1(CO)O[Si](C)(C)C(C)(C)C2428.3Semi standard non polar33892256
L-Sorbose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(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]1O2666.8Semi standard non polar33892256
L-Sorbose,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C2650.9Semi standard non polar33892256
L-Sorbose,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(C)C)OC[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2647.8Semi standard non polar33892256
L-Sorbose,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@]1(O)OC[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)C2658.4Semi standard non polar33892256
L-Sorbose,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1CO[C@@](CO)(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)C2658.9Semi standard non polar33892256
L-Sorbose,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@]1(O[Si](C)(C)C(C)(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]1O[Si](C)(C)C(C)(C)C2869.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - L-Sorbose GC-MS (Non-derivatized) - 70eV, Positivesplash10-08fr-9700000000-3e5e0a3aa6c676c977012016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Sorbose GC-MS (5 TMS) - 70eV, Positivesplash10-004i-8422790000-fda815da7846441c6ea72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Sorbose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - L-Sorbose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Sorbose Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0002-0900000000-ad56c2283c49482686682012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Sorbose Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00ri-9600000000-f53f9ae5db12b8c076112012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - L-Sorbose Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0079-9200000000-c3dabd4edd0fd062cfd42012-07-24HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 10V, Positive-QTOFsplash10-01q9-0900000000-014681a0ceccca2436302016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 20V, Positive-QTOFsplash10-03e9-2900000000-fdd4f1c2b01b7cd4a6212016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 40V, Positive-QTOFsplash10-0c30-9200000000-a3afc1e71049f23145b02016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 10V, Negative-QTOFsplash10-00fu-9700000000-86b1b9f75df959e2158f2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 20V, Negative-QTOFsplash10-024i-9800000000-1acd95dd1e6f8744308f2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 40V, Negative-QTOFsplash10-0006-9000000000-545f59c3707e4298b57c2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 10V, Positive-QTOFsplash10-01pk-0900000000-d9de28ed437f1079125e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 20V, Positive-QTOFsplash10-03e9-9700000000-21b6c695fb9bdd5ae08d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 40V, Positive-QTOFsplash10-0007-9000000000-7c49e3a2d60cfed68a762021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 10V, Negative-QTOFsplash10-004i-6900000000-def874fe6470032fdd272021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 20V, Negative-QTOFsplash10-056r-9100000000-b495c0f16251b5ee98e12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - L-Sorbose 40V, Negative-QTOFsplash10-0a4l-9000000000-d526231c78d5ea2b9be52021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
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 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Feces
  • Sweat
  • Urine
Tissue Locations
  • Adipose Tissue
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Pancreas
  • Placenta
  • Platelet
  • Prostate
  • Skeletal Muscle
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SweatDetected but not QuantifiedNot QuantifiedAdult BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
UrineDetected and Quantified0.5 (0.0-1.0) umol/mmol creatinineAdult (>18 years old)Both
Prostate Cancer		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBladder cancer details
Associated Disorders and Diseases
Disease References
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 ]
Prostate cancer
  1. 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 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB001126
KNApSAcK IDC00019630
Chemspider ID390208
KEGG Compound IDC08356
BioCyc IDSORBOSE
BiGG IDNot Available
Wikipedia LinkSorbose
METLIN ID6121
PubChem Compound441484
PDB IDSOE
ChEBI ID10295
Food Biomarker OntologyNot Available
VMH IDSRB_L
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceBanjopnoppakun, Tanaphat; Moonmangmee, Somporn; Moonmangmee, Duangtip. Production of L-sorbose by thermotolerant acetic acid bacteria. Proceeding of the Kasetsart University Annual Conference, 44th, Bangkok, Thailand, Jan. 30-Feb. 2, 2006 (2006), 117-123.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Gryz EA, Galicka-Latala D, Szczudlik A, Sieradzki J: [Etiopathogenesis of diabetic neuropathy]. Przegl Lek. 2000;57(12):727-31. [PubMed:11398597 ]
  2. Nakamura J, Koh N, Sakakibara F, Hamada Y, Wakao T, Sasaki H, Mori K, Nakashima E, Naruse K, Hotta N: Diabetic neuropathy in sucrose-fed Otsuka Long-Evans Tokushima fatty rats: effect of an aldose reductase inhibitor, TAT. Life Sci. 1997;60(21):1847-57. [PubMed:9154994 ]
  3. Wang C, So SY, Wong KK, So WW, Chan SY: Chronic sinopulmonary disease in Chinese patients with obstructive azoospermia. J Androl. 1987 Jul-Aug;8(4):225-9. [PubMed:3624059 ]
  4. Kossi J, Peltonen J, Uotila P, Laato M: Differential effects of hexoses and sucrose, and platelet-derived growth factor isoforms on cyclooxygenase-1 and -2 mRNA expression in keloid, hypertrophic scar and granulation tissue fibroblasts. Arch Dermatol Res. 2001 Mar;293(3):126-32. [PubMed:11357226 ]
  5. Gross KC, Houghton MP, Senterfit LB: Presumptive speciation of Streptococcus bovis and other group D streptococci from human sources by using arginine and pyruvate tests. J Clin Microbiol. 1975 Jan;1(1):54-60. [PubMed:1176592 ]
  6. Fukasawa M, Takayama E, Shinomiya N, Okumura A, Rokutanda M, Yamamoto N, Sakakibara R: Identification of the promoter region of human placental 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase gene. Biochem Biophys Res Commun. 2000 Jan 27;267(3):703-8. [PubMed:10673355 ]
  7. Le KA, Tappy L: Metabolic effects of fructose. Curr Opin Clin Nutr Metab Care. 2006 Jul;9(4):469-75. [PubMed:16778579 ]
  8. Fukasawa M, Tsuchiya T, Takayama E, Shinomiya N, Uyeda K, Sakakibara R, Seki S: Identification and characterization of the hypoxia-responsive element of the human placental 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase gene. J Biochem. 2004 Sep;136(3):273-7. [PubMed:15598882 ]
  9. Yanez AJ, Bertinat R, Spichiger C, Carcamo JG, de Los Angeles Garcia M, Concha II, Nualart F, Slebe JC: Novel expression of liver FBPase in Langerhans islets of human and rat pancreas. J Cell Physiol. 2005 Oct;205(1):19-24. [PubMed:15965961 ]
  10. Lee YH, Li Y, Uyeda K, Hasemann CA: Tissue-specific structure/function differentiation of the liver isoform of 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase. J Biol Chem. 2003 Jan 3;278(1):523-30. Epub 2002 Oct 11. [PubMed:12379646 ]
  11. Minchenko O, Opentanova I, Minchenko D, Ogura T, Esumi H: Hypoxia induces transcription of 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-4 gene via hypoxia-inducible factor-1alpha activation. FEBS Lett. 2004 Oct 8;576(1-2):14-20. [PubMed:15474002 ]
  12. Andrade-Rocha FT: Physical analysis of ejaculate to evaluate the secretory activity of the seminal vesicles and prostate. Clin Chem Lab Med. 2005;43(11):1203-10. [PubMed:16232086 ]
  13. Roy S, Banerjee A, Pandey HC, Singh G, Kumari GL: Application of seminal germ cell morphology and semen biochemistry in the diagnosis and management of azoospermic subjects. Asian J Androl. 2001 Mar;3(1):55-62. [PubMed:11250795 ]
  14. Blakemore SJ, Aledo JC, James J, Campbell FC, Lucocq JM, Hundal HS: The GLUT5 hexose transporter is also localized to the basolateral membrane of the human jejunum. Biochem J. 1995 Jul 1;309 ( Pt 1):7-12. [PubMed:7619085 ]
  15. Abou El Fadil-Nicol F, Berger F, Descroix-Vagne M, Pansu D: Presence of sorbin in human digestive tract and endocrine digestive tumours. Gut. 2000 Feb;46(2):182-90. [PubMed:10644311 ]
  16. Faeh D, Minehira K, Schwarz JM, Periasamy R, Park S, Tappy L: Effect of fructose overfeeding and fish oil administration on hepatic de novo lipogenesis and insulin sensitivity in healthy men. Diabetes. 2005 Jul;54(7):1907-13. [PubMed:15983189 ]
  17. Atsumi T, Chesney J, Metz C, Leng L, Donnelly S, Makita Z, Mitchell R, Bucala R: High expression of inducible 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (iPFK-2; PFKFB3) in human cancers. Cancer Res. 2002 Oct 15;62(20):5881-7. [PubMed:12384552 ]
  18. Wu LY, Juan CC, Hwang LS, Hsu YP, Ho PH, Ho LT: Green tea supplementation ameliorates insulin resistance and increases glucose transporter IV content in a fructose-fed rat model. Eur J Nutr. 2004 Apr;43(2):116-24. Epub 2004 Jan 6. [PubMed:15083319 ]
  19. Ludwig M, Vidal A, Diemer T, Pabst W, Failing K, Weidner W: Seminal secretory capacity of the male accessory sex glands in chronic pelvic pain syndrome (CPPS)/chronic prostatitis with special focus on the new prostatitis classification. Eur Urol. 2002 Jul;42(1):24-8. [PubMed:12121725 ]
  20. Massucco P, Mattiello L, Russo I, Traversa M, Doronzo G, Anfossi G, Trovati M: High glucose rapidly activates the nitric oxide/cyclic nucleotide pathway in human platelets via an osmotic mechanism. Thromb Haemost. 2005 Mar;93(3):517-26. [PubMed:15735804 ]
  21. Sugisawa T, Miyazaki T, Hoshino T: Microbial production of L-ascorbic acid from D-sorbitol, L-sorbose, L-gulose, and L-sorbosone by Ketogulonicigenium vulgare DSM 4025. Biosci Biotechnol Biochem. 2005 Mar;69(3):659-62. doi: 10.1271/bbb.69.659. [PubMed:15785002 ]

Enzymes

Enzyme Details
1. Sorbitol dehydrogenase
General function:
Involved in zinc ion binding
Specific function:
Converts sorbitol to fructose. Part of the polyol pathway that plays an important role in sperm physiology. May play a role in the sperm motility by providing an energetic source for sperm (By similarity).
Gene Name:
SORD
Uniprot ID:
Q00796
Molecular weight:
38324.25
Reactions
L-Iditol + NAD → L-Sorbose + NADHdetails