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Showing metabocard for D-Xylono-1,5-lactone (HMDB0011676)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-02-04 10:13:48 UTC
Update Date2023-02-21 17:17:33 UTC
HMDB IDHMDB0011676
Secondary Accession Numbers
  • HMDB11676
Metabolite Identification
Common NameD-Xylono-1,5-lactone
DescriptionD-xylonolactone is a lactone derivative of xylonic acid. It is an intermediate in the pentose and glucuronate interconversion pathway and can be formed from either D-xylonic acid or D-xylose. D-xylose is a simple 5 carbon sugar that is found in a variety of edible plants. It is also frequently used in intestinal absorption tests to help diagnose problems that prevent the small intestine from absorbing nutrients in food. Xylose is also the first saccharide added to the serine or threonine in the proteoglycan type O-glycosylation and so it is the first saccharide in biosynthetic pathways of most anionic polysaccharides such as heparan sulfate and chondroitin sulfate. D-xylose is normally easily absorbed by the intestines where it can be converted to D-xylonolactone by intestinal D-xylose 1-dehydrogenase (EC 1.1.1.175).
Structure
Data?1676999853
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0011676 (D-Xylono-1,5-lactone)


  Mrv0541 02241201502D          

 10 10  0  0  1  0            999 V2000
    8.9332   -9.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476   -9.7829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3621   -9.3703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3621   -8.5453    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6476   -8.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476   -7.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9332   -8.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0766   -8.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0766   -9.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476  -10.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  6  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
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3D MOL for HMDB0011676 (D-Xylono-1,5-lactone)

HMDB0011676
     RDKit          3D
D-Xylono-1,5-lactone
 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.3762    2.6190    0.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288    1.6733   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006    1.8384   -0.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    0.8971   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523   -0.5007   -0.6038 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9467   -1.4605   -0.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -0.5869    0.4827 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4583   -1.8618    0.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658    0.2719    0.0171 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3600    0.1404    0.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    1.0138    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    1.0252   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -0.6060   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6265   -2.3184   -0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267   -0.0574    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8039   -1.8326    1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4838    0.0239   -1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1249   -0.2786    0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  4 11  1  0
  4 12  1  0
  5 13  1  6
  6 14  1  0
  7 15  1  1
  8 16  1  0
  9 17  1  6
 10 18  1  0
M  END
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3D SDF for HMDB0011676 (D-Xylono-1,5-lactone)


  Mrv0541 02241201502D          

 10 10  0  0  1  0            999 V2000
    8.9332   -9.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476   -9.7829    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3621   -9.3703    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3621   -8.5453    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6476   -8.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476   -7.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9332   -8.5453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0766   -8.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0766   -9.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6476  -10.6079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2 10  1  6  0  0  0
  3  4  1  0  0  0  0
  3  9  1  1  0  0  0
  4  5  1  0  0  0  0
  4  8  1  6  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011676

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1

> <INCHI_KEY>
XXBSUZSONOQQGK-FLRLBIABSA-N

> <FORMULA>
C5H8O5

> <MOLECULAR_WEIGHT>
148.114

> <EXACT_MASS>
148.037173366

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
12.532979098654218

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4S,5R)-3,4,5-trihydroxyoxan-2-one

> <ALOGPS_LOGP>
-2.09

> <JCHEM_LOGP>
-2.114938244

> <ALOGPS_LOGS>
0.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.26573815440348

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.630185047833567

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5403563636526956

> <JCHEM_POLAR_SURFACE_AREA>
86.99000000000001

> <JCHEM_REFRACTIVITY>
28.8163

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.30e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-xylonolactone

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0011676 (D-Xylono-1,5-lactone)

HMDB0011676
     RDKit          3D
D-Xylono-1,5-lactone
 18 18  0  0  0  0  0  0  0  0999 V2000
   -1.3762    2.6190    0.5069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7288    1.6733   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5006    1.8384   -0.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5437    0.8971   -0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523   -0.5007   -0.6038 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9467   -1.4605   -0.4912 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0829   -0.5869    0.4827 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4583   -1.8618    0.8083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658    0.2719    0.0171 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3600    0.1404    0.8324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0608    1.0138    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2410    1.0252   -1.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4863   -0.6060   -1.6140 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6265   -2.3184   -0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267   -0.0574    1.3699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8039   -1.8326    1.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4838    0.0239   -1.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1249   -0.2786    0.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  4 11  1  0
  4 12  1  0
  5 13  1  6
  6 14  1  0
  7 15  1  1
  8 16  1  0
  9 17  1  6
 10 18  1  0
M  END
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PDB for HMDB0011676 (D-Xylono-1,5-lactone)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      16.675 -17.491   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      18.009 -18.261   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      19.343 -17.491   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      19.343 -15.951   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.009 -15.181   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      18.009 -13.641   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      16.675 -15.951   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      20.676 -15.181   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      20.676 -18.261   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      18.009 -19.801   0.000  0.00  0.00           O+0
CONECT    1    2    7                                                       
CONECT    2    1    3   10                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    1    5                                                       
CONECT    8    4                                                            
CONECT    9    3                                                            
CONECT   10    2                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0011676 (D-Xylono-1,5-lactone)

COMPND    HMDB0011676
HETATM    1  O1  UNL     1      -1.376   2.619   0.507  1.00  0.00           O  
HETATM    2  C1  UNL     1      -0.729   1.673  -0.012  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.501   1.838  -0.637  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.544   0.897  -0.553  1.00  0.00           C  
HETATM    5  C3  UNL     1       0.952  -0.501  -0.604  1.00  0.00           C  
HETATM    6  O3  UNL     1       1.947  -1.461  -0.491  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.083  -0.587   0.483  1.00  0.00           C  
HETATM    8  O4  UNL     1      -0.458  -1.862   0.808  1.00  0.00           O  
HETATM    9  C5  UNL     1      -1.266   0.272   0.017  1.00  0.00           C  
HETATM   10  O5  UNL     1      -2.360   0.140   0.832  1.00  0.00           O  
HETATM   11  H1  UNL     1       2.061   1.014   0.425  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.241   1.025  -1.413  1.00  0.00           H  
HETATM   13  H3  UNL     1       0.486  -0.606  -1.614  1.00  0.00           H  
HETATM   14  H4  UNL     1       1.626  -2.318  -0.136  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.327  -0.057   1.370  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.804  -1.833   1.755  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.484   0.024  -1.061  1.00  0.00           H  
HETATM   18  H8  UNL     1      -3.125  -0.279   0.324  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    9
CONECT    3    4
CONECT    4    5   11   12
CONECT    5    6    7   13
CONECT    6   14
CONECT    7    8    9   15
CONECT    8   16
CONECT    9   10   17
CONECT   10   18
END
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SMILES for HMDB0011676 (D-Xylono-1,5-lactone)

O[C@@H]1COC(=O)[C@H](O)[C@H]1O
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INCHI for HMDB0011676 (D-Xylono-1,5-lactone)

InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
D-XylonolactoneChEBI
XylonolactoneHMDB
Chemical FormulaC5H8O5
Average Molecular Weight148.114
Monoisotopic Molecular Weight148.037173366
IUPAC Name(3R,4S,5R)-3,4,5-trihydroxyoxan-2-one
Traditional NameD-xylonolactone
CAS Registry NumberNot Available
SMILES
O[C@@H]1COC(=O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2/t2-,3+,4-/m1/s1
InChI KeyXXBSUZSONOQQGK-FLRLBIABSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassLactones
Sub ClassDelta valerolactones
Direct ParentDelta valerolactones
Alternative Parents
Substituents
  • Delta valerolactone
  • Delta_valerolactone
  • Oxane
  • Carboxylic acid ester
  • Secondary alcohol
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Oxacycle
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility830 g/LALOGPS
logP-2.1ALOGPS
logP-2.1ChemAxon
logS0.75ALOGPS
pKa (Strongest Acidic)11.63ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area86.99 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity28.82 m³·mol⁻¹ChemAxon
Polarizability12.53 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]+130.84331661259
DarkChem[M-H]-126.79731661259
DeepCCS[M+H]+134.17330932474
DeepCCS[M-H]-132.05730932474
DeepCCS[M-2H]-167.0630932474
DeepCCS[M+Na]+140.99230932474
AllCCS[M+H]+133.132859911
AllCCS[M+H-H2O]+128.532859911
AllCCS[M+NH4]+137.432859911
AllCCS[M+Na]+138.732859911
AllCCS[M-H]-123.932859911
AllCCS[M+Na-2H]-125.532859911
AllCCS[M+HCOO]-127.432859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. 0.96 minutes32390414
Predicted by Siyang on May 30, 20229.9275 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.87 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid240.0 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid746.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid356.0 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid42.3 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid210.4 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid80.4 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid279.9 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid273.9 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)612.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid623.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid51.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid872.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid213.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid270.0 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate676.0 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA300.5 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water360.1 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-Xylono-1,5-lactoneO[C@@H]1COC(=O)[C@H](O)[C@H]1O2724.9Standard polar33892256
D-Xylono-1,5-lactoneO[C@@H]1COC(=O)[C@H](O)[C@H]1O1343.0Standard non polar33892256
D-Xylono-1,5-lactoneO[C@@H]1COC(=O)[C@H](O)[C@H]1O1516.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Xylono-1,5-lactone,1TMS,isomer #1C[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@H]1O1461.3Semi standard non polar33892256
D-Xylono-1,5-lactone,1TMS,isomer #2C[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O)[C@@H]1O1499.2Semi standard non polar33892256
D-Xylono-1,5-lactone,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@@H]1O1493.5Semi standard non polar33892256
D-Xylono-1,5-lactone,2TMS,isomer #1C[Si](C)(C)O[C@@H]1COC(=O)[C@H](O[Si](C)(C)C)[C@H]1O1574.7Semi standard non polar33892256
D-Xylono-1,5-lactone,2TMS,isomer #2C[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@H]1O[Si](C)(C)C1533.6Semi standard non polar33892256
D-Xylono-1,5-lactone,2TMS,isomer #3C[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@@H]1O[Si](C)(C)C1561.9Semi standard non polar33892256
D-Xylono-1,5-lactone,3TMS,isomer #1C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)COC(=O)[C@@H]1O[Si](C)(C)C1608.1Semi standard non polar33892256
D-Xylono-1,5-lactone,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@H]1O1717.6Semi standard non polar33892256
D-Xylono-1,5-lactone,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1C(=O)OC[C@@H](O)[C@@H]1O1731.6Semi standard non polar33892256
D-Xylono-1,5-lactone,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@@H]1O1733.7Semi standard non polar33892256
D-Xylono-1,5-lactone,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2008.1Semi standard non polar33892256
D-Xylono-1,5-lactone,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1COC(=O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C1977.3Semi standard non polar33892256
D-Xylono-1,5-lactone,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)COC(=O)[C@@H]1O[Si](C)(C)C(C)(C)C1982.9Semi standard non polar33892256
D-Xylono-1,5-lactone,3TBDMS,isomer #1CC(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)C2255.2Semi standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028364
KNApSAcK IDNot Available
Chemspider ID388758
KEGG Compound IDC02266
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439692
PDB IDNot Available
ChEBI ID15867
Food Biomarker OntologyNot Available
VMH IDM01757
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

Enzyme Details
1. 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