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Showing NP-Card for D-Xylose (NP0001416)

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Record Information
Version1.0
Created at2005-11-16 15:48:42 UTC
Updated at2022-07-15 18:22:48 UTC
NP-MRD IDNP0001416
Secondary Accession NumbersNone
Natural Product 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
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001416 (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
Download

3D MOL for NP0001416 (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 NP0001416 (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>
NP0001416

> <DATABASE_NAME>
NP-MRD

> <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 NP0001416 (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

PDB for NP0001416 (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 NP0001416 (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 NP0001416 (D-Xylose)

O[C@@H]1COC(O)[C@H](O)[C@H]1O
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INCHI for NP0001416 (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 Assignments
Synonyms
ValueSource
(3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetrolChEBI
D-(+)-XyloseChEBI
D-XylopentoseChEBI
Wood sugarChEBI
WURCS=2.0/1,1,0/[a212h-1x_1-5]/1/ChEBI
Xylo-pfanKegg
D-Xylo-pentoseHMDB
XylomedHMDB
XyloseHMDB
XylosideHMDB
XylopyranoseHMDB
D XyloseHMDB
D-XylopyranoseHMDB
Aldehydo-D-xyloseHMDB
D-XyloseChEBI
Chemical FormulaC5H10O5
Average Mass150.1299 Da
Monoisotopic Mass150.05282 Da
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
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, simulated)Ahselim2022-07-15View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, experimental)Ahselim2022-07-15View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 400 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Acacia tortuosaKNApSAcK Database
Allium cepaFooDB
Allium sativumFooDB
Aloe veraKNApSAcK Database
Anacardium occidentaleFooDB
Anagallis arvensisLOTUS Database
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Apium graveolensFooDB
Arabidopsis thalianaKNApSAcK Database
Artemisia dracunculusFooDB
Ascoseira mirabilisLOTUS Database
Averrhoa carambolaKNApSAcK Database
Beta vulgarisLOTUS Database
Bison bisonFooDB
Bombax ceibaLOTUS Database
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica oleracea L. ssp. BotrytisKNApSAcK Database
Bubalus bubalisFooDB
Cajanus cajanLOTUS Database
Cannabis sativaCannabisDB
      Not Available
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum var. annuumFooDB
Carum carviFooDB
Ceratonia siliquaFooDB
CervidaeFooDB
Cervus canadensisFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Codonopsis canescensKNApSAcK Database
Codonopsis pilosulaKNApSAcK Database
Codonopsis subglobosaKNApSAcK Database
Codonopsis tangshenKNApSAcK Database
Codonopsis tubulosaKNApSAcK Database
ColumbaFooDB
ColumbidaeFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Diospyros kakiLOTUS Database
Dromaius novaehollandiaeFooDB
Elliottia paniculataLOTUS Database
Equus caballusFooDB
Ficus caricaFooDB
Gallus gallusFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
Hibiscus sabbariffaFooDB
Homo sapiensLOTUS Database
Jatropha gossypifoliaLOTUS Database
Lagopus mutaFooDB
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
Linum usitatissimumFooDB
Lyonia ovalifoliaLOTUS Database
Malus pumilaFooDB
Matricaria recutitaFooDB
Medicago lupulinaLOTUS Database
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Moringa oleiferaFooDB
Musa x paradisiacaFooDB
Numida meleagrisFooDB
Ocimum basilicumFooDB
OdocoileusFooDB
OryctolagusFooDB
Oryza sativaFooDB
Ovis ariesFooDB
Panax ginsengKNApSAcK Database
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaLOTUS Database
Phytolacca americanaFooDB
Prunus armeniacaFooDB
Prunus aviumKNApSAcK Database
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Psidium guajavaFooDB
Ramalina fraxineaLOTUS Database
Rubus idaeusFooDB
Saccharum officinarumLOTUS Database
Sebertia acuminataKNApSAcK Database
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syzygium aromaticumFooDB
Tamarindus indicaFooDB
Tamarix aphyllaLOTUS Database
Taraxacum officinaleFooDB
Tecoma stansLOTUS Database
Theobroma cacaoFooDB
Trigonella foenum-graecumFooDB
Triticum aestivumFooDB
Typha angustifoliaKNApSAcK Database
Vaccinium oxycoccosLOTUS Database
Vachellia tortuosaLOTUS Database
Vigna radiataFooDB
Vitis vinifera L.FooDB
Zea mays L.FooDB
Species Where Detected
Species NameSourceReference
Escherichia coliKNApSAcK Database
Homo sapiens (Urine)KNApSAcK Database
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
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point90.5 °CNot Available
Boiling Point275.00 to 276.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility555 mg/mLNot Available
LogP5.563 (est)The Good Scents Company Information System
Predicted 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
HMDB IDHMDB0000098
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB005944
KNApSAcK IDC00007290
Chemspider ID119104
KEGG Compound IDC00181
BioCyc IDNot Available
BiGG ID34162
Wikipedia LinkXylose
METLIN ID314
PubChem Compound135191
PDB IDNot Available
ChEBI ID53455
Good Scents IDrw1548081
References
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. Vardhan S, Sahoo SK: Exploring the therapeutic nature of limonoids and triterpenoids against SARS-CoV-2 by targeting nsp13, nsp14, and nsp15 through molecular docking and dynamics simulations. J Tradit Complement Med. 2022 Jan;12(1):44-54. doi: 10.1016/j.jtcme.2021.12.002. Epub 2021 Dec 13. [PubMed:34926189 ]