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Showing metabocard for Erythrose (HMDB0002649)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2006-05-22 15:12:01 UTC
Update Date2022-09-22 17:44:53 UTC
HMDB IDHMDB0002649
Secondary Accession Numbers
  • HMDB02649
Metabolite Identification
Common NameErythrose
DescriptionErythrose is a tetrose saccharide with the chemical formula C4H8O4. It has one aldehyde group, and is thus part of the aldose family. The natural isomer is D-erythrose. It is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. Erythrose is very soluble (in water). Erythrose can be found in blood, as well as in human cartilage tissue. Within the cell, erythrose is primarily located in the cytoplasm (predicted from logP). Erythrose exists in all living organisms, ranging from bacteria to humans. Erythrose is found to be associated with schizophrenia. Erythrose was first isolated in 1849 from rhubarb by the French pharmacist Louis Feux Joseph Garot (1798-1869) and was named as such because of its red hue in the presence of alkali metals.
Structure
Data?1582752253
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0002649 (Erythrose)


  Mrv1652305271900112D          

 11 11  0  0  1  0            999 V2000
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    1.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    0.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298   -0.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  6  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  8  4  1  0  0  0  0
  2  9  1  1  0  0  0
  3 10  1  1  0  0  0
 11  4  1  0  0  0  0
M  END
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3D MOL for HMDB0002649 (Erythrose)

HMDB0002649
     RDKit          3D
Erythrose
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.3064   -0.3141    0.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502   -0.4410    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -1.4532    0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -1.0733    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    0.2058   -0.5914 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0477    0.9928   -0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047    0.8398    0.0374 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0551    1.2625    1.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698   -0.6328    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -0.6188   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496   -1.8471   -0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -0.9323    1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737    0.0073   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    1.6662   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7006    1.6108   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    0.7274    2.0247 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  2  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  6
  6 14  1  0
  7 15  1  6
  8 16  1  0
M  END
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3D SDF for HMDB0002649 (Erythrose)


  Mrv1652305271900112D          

 11 11  0  0  1  0            999 V2000
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.1143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843    0.8843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3297   -0.8227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1673    1.4888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    0.0460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5298   -0.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  2  5  1  6  0  0  0
  3  6  1  6  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  8  4  1  0  0  0  0
  2  9  1  1  0  0  0
  3 10  1  1  0  0  0
 11  4  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0002649

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1

> <INCHI_KEY>
FMAORJIQYMIRHF-HERZVMAMSA-N

> <FORMULA>
C4H8O4

> <MOLECULAR_WEIGHT>
120.1039

> <EXACT_MASS>
120.042258744

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
10.733662836452542

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,4R)-oxolane-2,3,4-triol

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-1.671869334

> <ALOGPS_LOGS>
1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.052554670413375

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.32050975209086

> <JCHEM_PKA_STRONGEST_BASIC>
-3.5572951827239905

> <JCHEM_POLAR_SURFACE_AREA>
69.92

> <JCHEM_REFRACTIVITY>
23.998399999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.43e+03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-erythro-tetrose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0002649 (Erythrose)

HMDB0002649
     RDKit          3D
Erythrose
 16 16  0  0  0  0  0  0  0  0999 V2000
    2.3064   -0.3141    0.7310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502   -0.4410    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3127   -1.4532    0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -1.0733    0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468    0.2058   -0.5914 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0477    0.9928   -0.4901 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3047    0.8398    0.0374 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0551    1.2625    1.3241 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0698   -0.6328    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3651   -0.6188   -1.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496   -1.8471   -0.3800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5578   -0.9323    1.1378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6737    0.0073   -1.6441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0046    1.6662   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7006    1.6108   -0.6167 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5070    0.7274    2.0247 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  2  1  0
  1  9  1  0
  2 10  1  0
  4 11  1  0
  4 12  1  0
  5 13  1  6
  6 14  1  0
  7 15  1  6
  8 16  1  0
M  END
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PDB for HMDB0002649 (Erythrose)

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  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       1.060   3.620   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -1.651   1.651   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -0.615  -1.536   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       1.830  -0.290   0.000  0.00  0.00           O+0
HETATM    9  H   UNK     0      -0.312   2.779   0.000  0.00  0.00           H+0
HETATM   10  H   UNK     0      -1.275   0.086   0.000  0.00  0.00           H+0
HETATM   11  H   UNK     0       0.989  -1.662   0.000  0.00  0.00           H+0
CONECT    1    2    8                                                       
CONECT    2    1    3    5    9                                             
CONECT    3    2    4    6   10                                             
CONECT    4    3    7    8   11                                             
CONECT    5    2                                                            
CONECT    6    3                                                            
CONECT    7    4                                                            
CONECT    8    1    4                                                       
CONECT    9    2                                                            
CONECT   10    3                                                            
CONECT   11    4                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0002649 (Erythrose)

COMPND    HMDB0002649
HETATM    1  O1  UNL     1       2.306  -0.314   0.731  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.150  -0.441   0.020  1.00  0.00           C  
HETATM    3  O2  UNL     1       0.313  -1.453   0.425  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.991  -1.073   0.179  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.947   0.206  -0.591  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.048   0.993  -0.490  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.305   0.840   0.037  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.055   1.262   1.324  1.00  0.00           O  
HETATM    9  H1  UNL     1       3.070  -0.633   0.155  1.00  0.00           H  
HETATM   10  H2  UNL     1       1.365  -0.619  -1.073  1.00  0.00           H  
HETATM   11  H3  UNL     1      -1.550  -1.847  -0.380  1.00  0.00           H  
HETATM   12  H4  UNL     1      -1.558  -0.932   1.138  1.00  0.00           H  
HETATM   13  H5  UNL     1      -0.674   0.007  -1.644  1.00  0.00           H  
HETATM   14  H6  UNL     1      -2.005   1.666  -1.240  1.00  0.00           H  
HETATM   15  H7  UNL     1       0.701   1.611  -0.617  1.00  0.00           H  
HETATM   16  H8  UNL     1       0.507   0.727   2.025  1.00  0.00           H  
CONECT    1    2    9
CONECT    2    3    7   10
CONECT    3    4
CONECT    4    5   11   12
CONECT    5    6    7   13
CONECT    6   14
CONECT    7    8   15
CONECT    8   16
END
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SMILES for HMDB0002649 (Erythrose)

[H][C@@]1(O)COC([H])(O)[C@]1([H])O
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INCHI for HMDB0002649 (Erythrose)

InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(R*,r*)-2,3,4-trihydroxybutanalHMDB
D-erythro-TetroseHMDB
D-ErythroseHMDB
L-threo-AldoseHMDB
L-ThreoseHMDB
LTrHMDB
ThreoseHMDB
Chemical FormulaC4H8O4
Average Molecular Weight120.1039
Monoisotopic Molecular Weight120.042258744
IUPAC Name(3R,4R)-oxolane-2,3,4-triol
Traditional NameD-erythro-tetrose
CAS Registry Number1758-51-6
SMILES
[H][C@@]1(O)COC([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C4H8O4/c5-2-1-8-4(7)3(2)6/h2-7H,1H2/t2-,3-,4?/m1/s1
InChI KeyFMAORJIQYMIRHF-HERZVMAMSA-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
  • Tetrahydrofuran
  • Secondary alcohol
  • Hemiacetal
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateLiquid
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 Solubility1430 g/LALOGPS
logP-2.3ALOGPS
logP-1.7ChemAxon
logS1.08ALOGPS
pKa (Strongest Acidic)11.32ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity24 m³·mol⁻¹ChemAxon
Polarizability10.73 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]+124.13731661259
DarkChem[M-H]-119.92131661259
DeepCCS[M+H]+127.71130932474
DeepCCS[M-H]-125.82530932474
DeepCCS[M-2H]-160.70530932474
DeepCCS[M+Na]+134.18230932474
AllCCS[M+H]+127.632859911
AllCCS[M+H-H2O]+122.832859911
AllCCS[M+NH4]+132.132859911
AllCCS[M+Na]+133.332859911
AllCCS[M-H]-119.232859911
AllCCS[M+Na-2H]-121.732859911
AllCCS[M+HCOO]-124.632859911

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. Predicted by Afia on May 17, 2022.1.46 minutes32390414
Predicted by Siyang on May 30, 20228.9173 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20222.69 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid248.7 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid641.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid330.9 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid45.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid208.3 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid72.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid273.7 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 Acid220.2 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)643.1 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid573.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid40.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid708.5 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid205.3 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid257.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate600.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA323.3 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water283.2 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Erythrose[H][C@@]1(O)COC([H])(O)[C@]1([H])O2499.3Standard polar33892256
Erythrose[H][C@@]1(O)COC([H])(O)[C@]1([H])O1169.8Standard non polar33892256
Erythrose[H][C@@]1(O)COC([H])(O)[C@]1([H])O1161.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Erythrose,1TMS,isomer #1C[Si](C)(C)O[C@@H]1COC(O)[C@@H]1O1261.6Semi standard non polar33892256
Erythrose,1TMS,isomer #2C[Si](C)(C)OC1OC[C@@H](O)[C@H]1O1275.9Semi standard non polar33892256
Erythrose,1TMS,isomer #3C[Si](C)(C)O[C@H]1C(O)OC[C@H]1O1264.5Semi standard non polar33892256
Erythrose,2TMS,isomer #1C[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C)[C@H]1O1357.7Semi standard non polar33892256
Erythrose,2TMS,isomer #2C[Si](C)(C)O[C@@H]1COC(O)[C@@H]1O[Si](C)(C)C1348.0Semi standard non polar33892256
Erythrose,2TMS,isomer #3C[Si](C)(C)OC1OC[C@@H](O)[C@H]1O[Si](C)(C)C1346.5Semi standard non polar33892256
Erythrose,3TMS,isomer #1C[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1412.6Semi standard non polar33892256
Erythrose,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H]1COC(O)[C@@H]1O1487.0Semi standard non polar33892256
Erythrose,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1OC[C@@H](O)[C@H]1O1499.1Semi standard non polar33892256
Erythrose,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1C(O)OC[C@H]1O1486.7Semi standard non polar33892256
Erythrose,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O1794.0Semi standard non polar33892256
Erythrose,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1COC(O)[C@@H]1O[Si](C)(C)C(C)(C)C1790.2Semi standard non polar33892256
Erythrose,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1OC[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C1797.5Semi standard non polar33892256
Erythrose,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2074.2Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Cartilage
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothSchizophrenia details
Associated Disorders and Diseases
Disease References
Schizophrenia
  1. Xuan J, Pan G, Qiu Y, Yang L, Su M, Liu Y, Chen J, Feng G, Fang Y, Jia W, Xing Q, He L: Metabolomic profiling to identify potential serum biomarkers for schizophrenia and risperidone action. J Proteome Res. 2011 Dec 2;10(12):5433-43. doi: 10.1021/pr2006796. Epub 2011 Nov 8. [PubMed:22007635 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023039
KNApSAcK IDC00035355
Chemspider ID388659
KEGG Compound IDC01796
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkErythrose
METLIN ID289
PubChem Compound439574
PDB IDNot Available
ChEBI ID23956
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceCovimilla, Bernard M.; Ajiri, Masafumi; Arai, Kunio. Preparation of erythrose. Jpn. Kokai Tokkyo Koho (1998), 5 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Verzijl N, DeGroot J, Ben ZC, Brau-Benjamin O, Maroudas A, Bank RA, Mizrahi J, Schalkwijk CG, Thorpe SR, Baynes JW, Bijlsma JW, Lafeber FP, TeKoppele JM: Crosslinking by advanced glycation end products increases the stiffness of the collagen network in human articular cartilage: a possible mechanism through which age is a risk factor for osteoarthritis. Arthritis Rheum. 2002 Jan;46(1):114-23. [PubMed:11822407 ]
  2. DeGroot J, Verzijl N, Jacobs KM, Budde M, Bank RA, Bijlsma JW, TeKoppele JM, Lafeber FP: Accumulation of advanced glycation endproducts reduces chondrocyte-mediated extracellular matrix turnover in human articular cartilage. Osteoarthritis Cartilage. 2001 Nov;9(8):720-6. [PubMed:11795991 ]
  3. Jansen G, Muskiet FA, Schierbeek H, Berger R, van der Slik W: Capillary gas chromatographic profiling of urinary, plasma and erythrocyte sugars and polyols as their trimethylsilyl derivatives, preceded by a simple and rapid prepurification method. Clin Chim Acta. 1986 Jun 30;157(3):277-93. [PubMed:3731489 ]