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Showing metabocard for D-Xylose (HMDB0000098)

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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:19:31 UTC
HMDB IDHMDB0000098
Secondary Accession Numbers
  • HMDB0003763
  • HMDB00098
  • HMDB0060254
  • HMDB03763
  • HMDB60254
Metabolite Identification
Common NameD-Xylose
DescriptionXylose or wood sugar is an aldopentose - a monosaccharide containing five carbon atoms and an aldehyde functional group. It has chemical formula C5H10O5 and is 40% as sweet as sucrose. Xylose is found in the embryos of most edible plants. The polysaccharide xylan, which is closely associated with cellulose, consists practically entirely of d-xylose. Corncobs, cottonseed hulls, pecan shells, and straw contain considerable amounts of this sugar. Xylose is also found in mucopolysaccharides of connective tissue and sometimes in the urine. Xylose is the first sugar added to serine or threonine residues during proteoglycan type O-glycosylation. Therefore xylose is involved in the biosythetic pathways of most anionic polysaccharides such as heparan sulphate and chondroitin sulphate. In medicine, xylose is used to test for malabsorption by administering a xylose solution to the patient after fasting. If xylose is detected in the blood and/or urine within the next few hours, it has been absorbed by the intestines. Xylose is said to be one of eight sugars which are essential for human nutrition, the others being galactose, glucose, mannose, N-acetylglucosamine, N-acetylgalactosamine, fucose, and sialic acid. (Wikipedia ). Xylose in the urine is a biomarker for the consumption of apples and other fruits.
Structure
Data?1582752111
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000098 (D-Xylose)


  Mrv1652305271900082D          

 10 10  0  0  1  0            999 V2000
   12.6685  -10.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250   -9.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -8.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250  -10.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829   -9.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2395   -9.5827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9540   -9.1702    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2395  -10.4077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6685   -9.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540  -10.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  6  0  0  0
  7  3  1  1  0  0  0
  8  4  1  1  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
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3D MOL for HMDB0000098 (D-Xylose)

HMDB0000098
     RDKit          3D
D-Xylose
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.1156   -0.5052    0.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -0.3744   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -1.4629   -0.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -1.2707   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0092   -0.4946    0.6423 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3303   -0.6124    0.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    0.9395    0.3192 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7223    1.7268    1.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385    0.9350   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6941    1.4850   -1.6145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488   -1.3903    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2635   -0.3077   -1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039   -0.6100   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094   -2.2140   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077   -0.8123    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819   -1.5531    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550    1.2826   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    2.6712    1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842    1.6566    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140    0.9108   -2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9  2  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  1
  6 16  1  0
  7 17  1  6
  8 18  1  0
  9 19  1  1
 10 20  1  0
M  END
Download

3D SDF for HMDB0000098 (D-Xylose)


  Mrv1652305271900082D          

 10 10  0  0  1  0            999 V2000
   12.6685  -10.4077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250   -9.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540   -8.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5250  -10.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3829   -9.1702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2395   -9.5827    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9540   -9.1702    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2395  -10.4077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6685   -9.5827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9540  -10.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  6  2  1  6  0  0  0
  7  3  1  1  0  0  0
  8  4  1  1  0  0  0
  5  9  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000098

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1

> <INCHI_KEY>
SRBFZHDQGSBBOR-IOVATXLUSA-N

> <FORMULA>
C5H10O5

> <MOLECULAR_WEIGHT>
150.1299

> <EXACT_MASS>
150.05282343

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
13.432709748510788

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-2.302204276

> <ALOGPS_LOGS>
0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.786263151759016

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.310624247742409

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5265718350182684

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
29.9609

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
d-xylose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000098 (D-Xylose)

HMDB0000098
     RDKit          3D
D-Xylose
 20 20  0  0  0  0  0  0  0  0999 V2000
   -2.1156   -0.5052    0.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4403   -0.3744   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6857   -1.4629   -0.6348 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -1.2707   -0.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0092   -0.4946    0.6423 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3303   -0.6124    0.9895 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6046    0.9395    0.3192 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7223    1.7268    1.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385    0.9350   -0.3144 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6941    1.4850   -1.6145 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0488   -1.3903    1.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2635   -0.3077   -1.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9039   -0.6100   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2094   -2.2140   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077   -0.8123    1.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5819   -1.5531    0.9652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3550    1.2826   -0.4513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    2.6712    1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3842    1.6566    0.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140    0.9108   -2.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9  2  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  1
  6 16  1  0
  7 17  1  6
  8 18  1  0
  9 19  1  1
 10 20  1  0
M  END
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PDB for HMDB0000098 (D-Xylose)

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      23.648 -19.428   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0      19.647 -17.118   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      22.314 -15.578   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      19.647 -20.198   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      24.981 -17.118   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      20.980 -17.888   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      22.314 -17.118   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      20.980 -19.428   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      23.648 -17.888   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.314 -20.198   0.000  0.00  0.00           C+0
CONECT    1    9   10                                                       
CONECT    2    6                                                            
CONECT    3    7                                                            
CONECT    4    8                                                            
CONECT    5    9                                                            
CONECT    6    2    7    8                                                  
CONECT    7    3    6    9                                                  
CONECT    8    4    6   10                                                  
CONECT    9    1    5    7                                                  
CONECT   10    1    8                                                       
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0000098 (D-Xylose)

COMPND    HMDB0000098
HETATM    1  O1  UNL     1      -2.116  -0.505   0.904  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.440  -0.374  -0.319  1.00  0.00           C  
HETATM    3  O2  UNL     1      -0.686  -1.463  -0.635  1.00  0.00           O  
HETATM    4  C2  UNL     1       0.671  -1.271  -0.638  1.00  0.00           C  
HETATM    5  C3  UNL     1       1.009  -0.495   0.642  1.00  0.00           C  
HETATM    6  O3  UNL     1       2.330  -0.612   0.990  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.605   0.940   0.319  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.722   1.727   1.435  1.00  0.00           O  
HETATM    9  C5  UNL     1      -0.739   0.935  -0.314  1.00  0.00           C  
HETATM   10  O5  UNL     1      -0.694   1.485  -1.614  1.00  0.00           O  
HETATM   11  H1  UNL     1      -2.049  -1.390   1.294  1.00  0.00           H  
HETATM   12  H2  UNL     1      -2.263  -0.308  -1.091  1.00  0.00           H  
HETATM   13  H3  UNL     1       0.904  -0.610  -1.523  1.00  0.00           H  
HETATM   14  H4  UNL     1       1.209  -2.214  -0.685  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.308  -0.812   1.467  1.00  0.00           H  
HETATM   16  H6  UNL     1       2.582  -1.553   0.965  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.355   1.283  -0.451  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.889   2.671   1.199  1.00  0.00           H  
HETATM   19  H9  UNL     1      -1.384   1.657   0.268  1.00  0.00           H  
HETATM   20  H10 UNL     1      -1.214   0.911  -2.212  1.00  0.00           H  
CONECT    1    2   11
CONECT    2    3    9   12
CONECT    3    4
CONECT    4    5   13   14
CONECT    5    6    7   15
CONECT    6   16
CONECT    7    8    9   17
CONECT    8   18
CONECT    9   10   19
CONECT   10   20
END
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SMILES for HMDB0000098 (D-Xylose)

O[C@@H]1COC(O)[C@H](O)[C@H]1O
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INCHI for HMDB0000098 (D-Xylose)

InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetrolChEBI
D-(+)-XyloseChEBI
D-XylopentoseChEBI
Wood sugarChEBI
Xylo-pfanKegg
D-Xylo-pentoseHMDB
XylomedHMDB
XyloseHMDB
XylosideHMDB
XylopyranoseHMDB
D XyloseHMDB
D-XylopyranoseHMDB
Aldehydo-D-xyloseHMDB
D-XyloseChEBI
Chemical FormulaC5H10O5
Average Molecular Weight150.1299
Monoisotopic Molecular Weight150.05282343
IUPAC Name(3R,4S,5R)-oxane-2,3,4,5-tetrol
Traditional Named-xylose
CAS Registry Number58-86-6
SMILES
O[C@@H]1COC(O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1
InChI KeySRBFZHDQGSBBOR-IOVATXLUSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentoses
Alternative Parents
Substituents
  • Pentose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
Process
Naturally occurring process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point90.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility555 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1220 g/LALOGPS
logP-2.6ALOGPS
logP-2.3ChemAxon
logS0.91ALOGPS
pKa (Strongest Acidic)11.31ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area90.15 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity29.96 m³·mol⁻¹ChemAxon
Polarizability13.43 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]+131.99831661259
DarkChem[M-H]-127.64731661259
AllCCS[M+H]+134.18832859911
AllCCS[M-H]-124.83432859911
DeepCCS[M+H]+134.74930932474
DeepCCS[M-H]-132.63530932474
DeepCCS[M-2H]-167.77530932474
DeepCCS[M+Na]+141.94530932474
AllCCS[M+H]+134.232859911
AllCCS[M+H-H2O]+129.832859911
AllCCS[M+NH4]+138.332859911
AllCCS[M+Na]+139.532859911
AllCCS[M-H]-124.832859911
AllCCS[M+Na-2H]-126.532859911
AllCCS[M+HCOO]-128.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-XyloseO[C@@H]1COC(O)[C@H](O)[C@H]1O3046.4Standard polar33892256
D-XyloseO[C@@H]1COC(O)[C@H](O)[C@H]1O1537.8Standard non polar33892256
D-XyloseO[C@@H]1COC(O)[C@H](O)[C@H]1O1346.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Xylose,1TMS,isomer #1C[Si](C)(C)O[C@@H]1COC(O)[C@H](O)[C@H]1O1506.2Semi standard non polar33892256
D-Xylose,1TMS,isomer #2C[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O1495.1Semi standard non polar33892256
D-Xylose,1TMS,isomer #3C[Si](C)(C)O[C@H]1C(O)OC[C@@H](O)[C@@H]1O1507.3Semi standard non polar33892256
D-Xylose,1TMS,isomer #4C[Si](C)(C)O[C@H]1[C@H](O)COC(O)[C@@H]1O1509.2Semi standard non polar33892256
D-Xylose,2TMS,isomer #1C[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O1539.2Semi standard non polar33892256
D-Xylose,2TMS,isomer #2C[Si](C)(C)O[C@@H]1COC(O)[C@H](O[Si](C)(C)C)[C@H]1O1524.3Semi standard non polar33892256
D-Xylose,2TMS,isomer #3C[Si](C)(C)O[C@@H]1COC(O)[C@H](O)[C@H]1O[Si](C)(C)C1482.2Semi standard non polar33892256
D-Xylose,2TMS,isomer #4C[Si](C)(C)OC1OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O1515.3Semi standard non polar33892256
D-Xylose,2TMS,isomer #5C[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C1506.6Semi standard non polar33892256
D-Xylose,2TMS,isomer #6C[Si](C)(C)O[C@H]1[C@H](O)COC(O)[C@@H]1O[Si](C)(C)C1500.7Semi standard non polar33892256
D-Xylose,3TMS,isomer #1C[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O1559.6Semi standard non polar33892256
D-Xylose,3TMS,isomer #2C[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C1577.1Semi standard non polar33892256
D-Xylose,3TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)COC(O)[C@@H]1O[Si](C)(C)C1562.3Semi standard non polar33892256
D-Xylose,3TMS,isomer #4C[Si](C)(C)OC1OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1589.1Semi standard non polar33892256
D-Xylose,4TMS,isomer #1C[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1650.5Semi standard non polar33892256
D-Xylose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1COC(O)[C@H](O)[C@H]1O1761.6Semi standard non polar33892256
D-Xylose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O1736.9Semi standard non polar33892256
D-Xylose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(O)OC[C@@H](O)[C@@H]1O1747.2Semi standard non polar33892256
D-Xylose,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)COC(O)[C@@H]1O1744.7Semi standard non polar33892256
D-Xylose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O1984.9Semi standard non polar33892256
D-Xylose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1COC(O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O1974.6Semi standard non polar33892256
D-Xylose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]1COC(O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C1954.2Semi standard non polar33892256
D-Xylose,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O1974.3Semi standard non polar33892256
D-Xylose,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1OC[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C1954.5Semi standard non polar33892256
D-Xylose,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)COC(O)[C@@H]1O[Si](C)(C)C(C)(C)C1958.4Semi standard non polar33892256
D-Xylose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2239.6Semi standard non polar33892256
D-Xylose,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2229.6Semi standard non polar33892256
D-Xylose,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)COC(O)[C@@H]1O[Si](C)(C)C(C)(C)C2244.2Semi standard non polar33892256
D-Xylose,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2224.7Semi standard non polar33892256
D-Xylose,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC[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)C2471.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - D-Xylose GC-EI-TOF (Non-derivatized)splash10-0udi-0920000000-53943f97f7f99da85d3b2018-05-25HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Xylose GC-EI-TOF (Non-derivatized)splash10-0uxr-0920000000-c093331f073f562539512018-05-25HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Xylose GC-EI-TOF (Non-derivatized)splash10-0udi-0920000000-53943f97f7f99da85d3b2018-05-25HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - D-Xylose GC-EI-TOF (Non-derivatized)splash10-0uxr-0920000000-c093331f073f562539512018-05-25HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (Non-derivatized) - 70eV, Positivesplash10-000x-9400000000-f20d1c35a7eeea1609a52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (4 TMS) - 70eV, Positivesplash10-00g0-9256300000-ae2d57025e38284942492017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Xylose GC-MS (TBDMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0udi-2900000000-5a95e26ce7a03eeb4a1c2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00kr-9200000000-ffce45222cab00a0c3022012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0udr-5900000000-8d1e329345725c7495d02012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose 35V, Negative-QTOFsplash10-0c09-9300000000-68bb5f7897018aa0f3582021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose 35V, Negative-QTOFsplash10-0a4i-9000000000-f76bfc808747fe9aad842021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose 10V, Negative-QTOFsplash10-0a4i-9000000000-a7b4fd29d3979cb7bf062021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose 35V, Negative-QTOFsplash10-0a4i-9100000000-509fbbf4a256fe9f37002021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose 40V, Negative-QTOFsplash10-0udi-9200000000-7c094cf44853525b1af62021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - D-Xylose 20V, Negative-QTOFsplash10-0a4i-9000000000-b22a8f9c232e806e5c662021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 10V, Positive-QTOFsplash10-0ue9-0900000000-4856e933b915ddbb05542017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 20V, Positive-QTOFsplash10-0f89-0900000000-79e8278d7ae6b34a77722017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 40V, Positive-QTOFsplash10-08os-9100000000-64c106194d5825a11d362017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 10V, Negative-QTOFsplash10-0002-1900000000-988a7d2dad8bc555d5022017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 20V, Negative-QTOFsplash10-000t-2900000000-31127350481e63c82ff72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 40V, Negative-QTOFsplash10-0006-9000000000-264c06bc93b8e518bbfb2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 10V, Positive-QTOFsplash10-0gc0-1900000000-e784a3fdca89dcb59c122021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 20V, Positive-QTOFsplash10-0m4p-9100000000-fc295e2732f55a0a18c12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 40V, Positive-QTOFsplash10-0007-9000000000-ba5f29c2c79df8d0956f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 10V, Negative-QTOFsplash10-0002-7900000000-524214992b29f1ff9b802021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 20V, Negative-QTOFsplash10-0a4i-9000000000-f758a7d33dac04b062752021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Xylose 40V, Negative-QTOFsplash10-0a4l-9000000000-4b3e154b12c2ee07bf582021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Lysosome
Biospecimen Locations
  • Blood
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Erythrocyte
  • Intestine
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified3088.7 +/- 527.9 uMAdult (>18 years old)Not Specified
Normal		 details
BloodDetected and Quantified1797.5 +/- 328.2 uMAdult (>18 years old)Not Specified
Normal		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified1797.33 (1458.74 - 2357.96) uMNot AvailableNot Available
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 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 QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
    • Zerihun T. Dame, ...
 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
UrineDetected and Quantified26.7 +/- 23.7 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified5.26 (4.0-7.0) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified20.1 (2.9-102) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified51.19 umol/mmol creatinineAdult (>18 years old)Male
Normal
    • Shaykhutdinov RA,...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified22.674 +/- 14.809 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified652.8 +/- 273.1 uMAdult (>18 years old)Not Specified
Small intestinal malabsorption, HIV, & diarrhea		 details
BloodDetected and Quantified2911.1 +/- 752.4 uMAdult (>18 years old)Not Specified
Kidney disease		 details
BloodDetected and Quantified519.6 +/- 213.2 uMAdult (>18 years old)Not Specified
Small intestinal malabsorption, HIV, & diarrhea		 details
BloodDetected and Quantified399.8 +/- 139.9 uMAdult (>18 years old)Not Specified
Small intestinal malabsorption, scleroderma, & bacterial overgrowth		 details
BloodDetected and Quantified886.0 +/- 18.8 uMAdult (>18 years old)Not Specified
Small intestinal malabsorption, scleroderma, & bacterial overgrowth		 details
BloodDetected and Quantified483.0 +/- 14.1 uMAdult (>18 years old)Not Specified
Small intestinal malabsorption, HIV, & cryptosporidiosis		 details
BloodDetected and Quantified799.4 +/- 358.0 uMAdult (>18 years old)Not Specified
Small intestinal malabsorption, HIV, & cryptosporidiosis		 details
BloodDetected and Quantified2867.1 +/- 917.0 uMAdult (>18 years old)Not Specified
Kidney disease		 details
BloodDetected and Quantified3188.7 +/- 790.1 uMAdult (>18 years old)Not Specified
Small intestinal bacterial overgrowth		 details
BloodDetected and Quantified2373.7 +/- 238.0 uMAdult (>18 years old)Not Specified
Small intestinal bacterial overgrowth		 details
BloodDetected and Quantified3134.3 +/- 1248.3 uMAdult (>18 years old)Not Specified
Crohn's disease		 details
BloodDetected and Quantified2817.8 +/- 904.4 uMAdult (>18 years old)Not Specified
HIV and diarrhea		 details
BloodDetected and Quantified2684.6 +/- 913.8 uMAdult (>18 years old)Not Specified
HIV and diarrhea		 details
BloodDetected and Quantified2704.3 uMNot AvailableNot Available
Crohn's disease		 details
BloodDetected and Quantified1998.3 uMNot AvailableNot Available
Crohn's disease, short bowel		 details
BloodDetected and Quantified1432.1 uMNot AvailableNot Available
Crohn's disease, bowel obstruction		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Cryptosporidium infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Bladder cancer		 details
UrineDetected and Quantified3.0 (0.0-17.0) umol/mmol creatinineNot SpecifiedBothLung cancer details
UrineDetected and Quantified14.794 +/- 14.096 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
Associated Disorders and Diseases
Disease References
Small intestinal malabsorption
  1. Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40. [PubMed:11418788 ]
Kidney disease
  1. Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40. [PubMed:11418788 ]
Small bowel bacterial overgrowth syndrome
  1. Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40. [PubMed:11418788 ]
Crohn's disease
  1. Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40. [PubMed:11418788 ]
AIDS
  1. Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40. [PubMed:11418788 ]
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB005944
KNApSAcK IDC00007290
Chemspider ID119104
KEGG Compound IDC00181
BioCyc IDNot Available
BiGG ID34162
Wikipedia LinkXylose
METLIN ID314
PubChem Compound135191
PDB IDNot Available
ChEBI ID53455
Food Biomarker OntologyNot Available
VMH IDXYL_D
MarkerDB IDMDB00000051
Good Scents IDNot Available
References
Synthesis ReferenceLavarack, B. P.; Griffin, G.; Rodman, D. Optimizing the autohydrolysis of bagasse to extract D-xylose. Proceedings of the Conference of the Australian Society of Sugar Cane Technologists (1999), 21st 394-400.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38. [PubMed:2026685 ]
  2. Saliba F, Hagipantelli R, Misset JL, Bastian G, Vassal G, Bonnay M, Herait P, Cote C, Mahjoubi M, Mignard D, Cvitkovic E: Pathophysiology and therapy of irinotecan-induced delayed-onset diarrhea in patients with advanced colorectal cancer: a prospective assessment. J Clin Oncol. 1998 Aug;16(8):2745-51. [PubMed:9704727 ]
  3. Weiner R, Dietze F, Laue R: Age-dependent alterations of intestinal absorption. II. A clinical study using a modified D-xylose absorption test. Arch Gerontol Geriatr. 1984 Jul;3(2):97-108. [PubMed:6548110 ]
  4. Molina JM, Tourneur M, Sarfati C, Chevret S, de Gouvello A, Gobert JG, Balkan S, Derouin F: Fumagillin treatment of intestinal microsporidiosis. N Engl J Med. 2002 Jun 20;346(25):1963-9. [PubMed:12075057 ]
  5. Kost S, Keinert K, Glaser FH: [D-xylose test of resorption as a method to determine radiation side effects in the small intestine]. Strahlenther Onkol. 1998 Sep;174(9):462-7. [PubMed:9765687 ]
  6. Weiner R, Laue R, Dietze F: [Enteral resorption kinetics in the aging process]. Z Gesamte Inn Med. 1986 Mar 1;41(5):152-8. [PubMed:3716508 ]
  7. Ehrenpreis ED, Salvino M, Craig RM: Improving the serum D-xylose test for the identification of patients with small intestinal malabsorption. J Clin Gastroenterol. 2001 Jul;33(1):36-40. [PubMed:11418788 ]
  8. Weiner R: [Characteristics of disease and involution-induced changes in intestinal absorption]. Z Alternsforsch. 1986 Jul-Aug;41(4):219-24. [PubMed:3751145 ]
  9. Weiner R, Laue R, Dietze F, Hartig W: A modified D-xylose absorption test. Infusionsther Klin Ernahr. 1984 Dec;11(6):333-7. [PubMed:6526497 ]
  10. Horvath K, Horn G, Bingadeem H, Nemes Nagy A, Bodanszky H: [The value of the d-xylose loading test in the diagnosis of malabsorption syndromes]. Orv Hetil. 1990 Aug 19;131(33):1803-6, 1809. [PubMed:2204861 ]
  11. Wang SC, You RD: [Clinical and experimental study on treatment of anorexy in children with the activating spleen prescription]. Zhong Xi Yi Jie He Za Zhi. 1991 Feb;11(2):75-8, 67. [PubMed:2060054 ]
  12. Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Enzymes

Enzyme Details
1. Aldose reductase
General function:
Involved in oxidoreductase activity
Specific function:
Catalyzes the NADPH-dependent reduction of a wide variety of carbonyl-containing compounds to their corresponding alcohols with a broad range of catalytic efficiencies.
Gene Name:
AKR1B1
Uniprot ID:
P15121
Molecular weight:
35853.125
Reactions
D-Xylitol + NADP → D-Xylose + NADPH + Hydrogen Iondetails
Enzyme Details
2. Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
DHDH
Uniprot ID:
Q9UQ10
Molecular weight:
36381.705
Reactions
D-Xylose + NADP → D-Xylono-1,5-lactone + NADPHdetails
D-Xylose + NADP → D-Xylono-1,5-lactone + NADPH + Hydrogen Iondetails
Enzyme Details
3. Sodium/myo-inositol cotransporter 2
General function:
Involved in transporter activity
Specific function:
Involved in the sodium-dependent cotransport of myo-inositol (MI) with a Na(+):MI stoichiometry of 2:1. Exclusively responsible for apical MI transport and absorption in intestine. Also can transport D-chiro-inositol (DCI) but not L-fructose. Exhibits stereospecific cotransport of both D-glucose and D-xylose. May induce apoptosis through the TNF-alpha, PDCD1 pathway. May play a role in the regulation of MI concentration in serum, involving reabsorption in at least the proximal tubule of the kidney.
Gene Name:
SLC5A11
Uniprot ID:
Q8WWX8
Molecular weight:
69906.495
Enzyme Details
4. Aldo-keto reductase family 1 member B10
General function:
Not Available
Specific function:
Acts as all-trans-retinaldehyde reductase. Can efficiently reduce aliphatic and aromatic aldehydes, and is less active on hexoses (in vitro). May be responsible for detoxification of reactive aldehydes in the digested food before the nutrients are passed on to other organs.
Gene Name:
AKR1B10
Uniprot ID:
O60218
Molecular weight:
Not Available
Reactions
D-Xylitol + NADP → D-Xylose + NADPH + Hydrogen Iondetails
Enzyme Details
5. Glycosaminoglycan xylosylkinase
General function:
Not Available
Specific function:
Responsible for the 2-O-phosphorylation of xylose in the glycosaminoglycan-protein linkage region of proteoglycans thereby regulating the amount of mature GAG chains. Sulfated glycosaminoglycans (GAGs), including heparan sulfate and chondroitin sulfate, are synthesized on the so-called common GAG-protein linkage region (GlcUAbeta1-3Galbeta1-3Galbeta1-4Xylbeta1-O-Ser) of core proteins, which is formed by the stepwise addition of monosaccharide residues by the respective specific glycosyltransferases. Xylose 2-o-phosphorylation may influence the catalytic activity of B3GAT3 (GlcAT-I) which completes the precursor tetrasaccharide of GAG-protein linkage regions on which the repeating disaccharide region is synthesized.
Gene Name:
FAM20B
Uniprot ID:
O75063
Molecular weight:
46432.04
Reactions
Adenosine triphosphate + D-Xylose → ADP + D-xylose 2-phosphatedetails