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Showing metabocard for beta-L-Arabinose 1-phosphate (HMDB0012195)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:20:49 UTC
Update Date2021-09-14 15:40:56 UTC
HMDB IDHMDB0012195
Secondary Accession Numbers
  • HMDB12195
Metabolite Identification
Common Namebeta-L-Arabinose 1-phosphate
Descriptionbeta-L-Arabinose 1-phosphate is an intermediate in UDP-L-arabinose biosynthesis II (from L-arabinose) pathway. Although little is known about the incorporation of arabinose into these polymers or the contribution of the arabinosyl-substituents to the functions of the polymers, it has been demonstrated that arabinose-containing polymers are derived from UDP-L-arabinose, the activated sugar used by arabinosyltransferases. The formation of UDP-L-arabinose occurs via two routes: 1) a salvage pathway leading to the formation of UDP-L-arabinose from free arabinose, and 2) a de novo synthesis route involving the epimerization of UDP-D-xylose by a UDP-D-xylose 4-epimerase. The formation of UDP-L-arabinose at the end of the salvage pathway is achieved by a UDP-L-arabinose pyrophosphorylase. An enzyme with such activity has been purified from pea sprouts. This enzyme (USP for UDP-sugar pyrophosphorylase) was shown to have a broad range of monosaccharide substrates.
Structure
Data?1583944790
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0012195 (beta-L-Arabinose 1-phosphate)


  Mrv1652309042000342D          

 18 18  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    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
  5  4  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  6  0  0  0
  4  8  1  6  0  0  0
 12  1  1  0  0  0  0
 12  5  1  0  0  0  0
  5 13  1  6  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  6  0  0  0
  3 16  1  6  0  0  0
  4 17  1  1  0  0  0
  5 18  1  1  0  0  0
M  END
Download

3D MOL for HMDB0012195 (beta-L-Arabinose 1-phosphate)

HMDB0012195
     RDKit          3D
beta-L-Arabinose 1-phosphate
 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6441   -0.0435   -1.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    0.0877   -0.4382 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.6602    1.7057   -0.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.5095    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.8956   -0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848   -0.1427   -0.3208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3405   -0.3388   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -0.8125   -1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -0.1577   -0.0113 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2535    0.7749   -0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251    0.4319    1.0464 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0905    1.7201    0.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -0.4318    1.0087 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5046   -1.7891    1.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    2.1490   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -0.3267    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.9455   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -1.9386   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1989   -0.6356   -2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.9561    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    1.2021    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8763    0.3937    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592    2.0114   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131   -0.1630    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -2.2809    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  6  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  1
  8 18  1  0
  8 19  1  0
  9 20  1  1
 10 21  1  0
 11 22  1  1
 12 23  1  0
 13 24  1  1
 14 25  1  0
M  END
Download

3D SDF for HMDB0012195 (beta-L-Arabinose 1-phosphate)


  Mrv1652309042000342D          

 18 18  0  0  1  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0164   -2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8414   -0.9355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    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
  5  4  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  6  0  0  0
  4  8  1  6  0  0  0
 12  1  1  0  0  0  0
 12  5  1  0  0  0  0
  5 13  1  6  0  0  0
 14  9  1  0  0  0  0
 14 10  1  0  0  0  0
 14 11  2  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  6  0  0  0
  3 16  1  6  0  0  0
  4 17  1  1  0  0  0
  5 18  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0012195

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1

> <INCHI_KEY>
ILXHFXFPPZGENN-QMKXCQHVSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
25

> <JCHEM_AVERAGE_POLARIZABILITY>
17.815346255248436

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.91

> <JCHEM_LOGP>
-2.425770307333333

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.2202268460405445

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1565307698131155

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526611513944256

> <JCHEM_POLAR_SURFACE_AREA>
136.68

> <JCHEM_REFRACTIVITY>
40.8338

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.50e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-L-arabinose 1-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0012195 (beta-L-Arabinose 1-phosphate)

HMDB0012195
     RDKit          3D
beta-L-Arabinose 1-phosphate
 25 25  0  0  0  0  0  0  0  0999 V2000
    3.6441   -0.0435   -1.8242 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0178    0.0877   -0.4382 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.6602    1.7057   -0.0904 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1401   -0.5095    0.6792 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.8956   -0.3848 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848   -0.1427   -0.3208 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3405   -0.3388   -1.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5859   -0.8125   -1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3249   -0.1577   -0.0113 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2535    0.7749   -0.4804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4251    0.4319    1.0464 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0905    1.7201    0.6695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1568   -0.4318    1.0087 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5046   -1.7891    1.0328 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3472    2.1490   -0.9341 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0634   -0.3267    0.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7875    0.9455   -0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5785   -1.9386   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1989   -0.6356   -2.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274   -0.9561    0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7190    1.2021    0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8763    0.3937    2.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592    2.0114   -0.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5131   -0.1630    1.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2207   -2.2809    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13  6  1  0
  3 15  1  0
  4 16  1  0
  6 17  1  1
  8 18  1  0
  8 19  1  0
  9 20  1  1
 10 21  1  0
 11 22  1  1
 12 23  1  0
 13 24  1  1
 14 25  1  0
M  END
Download

PDB for HMDB0012195 (beta-L-Arabinose 1-phosphate)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       4.001  -3.850   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.897  -4.414   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       3.437  -1.746   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0       2.667  -3.080   0.000  0.00  0.00           P+0
HETATM   15  H   UNK     0       0.000   3.080   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0      -1.334   0.770   0.000  0.00  0.00           H+0
HETATM   18  H   UNK     0       0.000  -1.540   0.000  0.00  0.00           H+0
CONECT    1    2   12                                                       
CONECT    2    1    3    6   15                                             
CONECT    3    2    4    7   16                                             
CONECT    4    3    5    8   17                                             
CONECT    5    4   12   13   18                                             
CONECT    6    2                                                            
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9   14                                                            
CONECT   10   14                                                            
CONECT   11   14                                                            
CONECT   12    1    5                                                       
CONECT   13    5   14                                                       
CONECT   14    9   10   11   13                                             
CONECT   15    2                                                            
CONECT   16    3                                                            
CONECT   17    4                                                            
CONECT   18    5                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   36    0
END
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3D PDB for HMDB0012195 (beta-L-Arabinose 1-phosphate)

COMPND    HMDB0012195
HETATM    1  O1  UNL     1       3.644  -0.043  -1.824  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.018   0.088  -0.438  1.00  0.00           P  
HETATM    3  O2  UNL     1       2.660   1.706  -0.090  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.140  -0.510   0.679  1.00  0.00           O  
HETATM    5  O4  UNL     1       1.662  -0.896  -0.385  1.00  0.00           O  
HETATM    6  C1  UNL     1       0.485  -0.143  -0.321  1.00  0.00           C  
HETATM    7  O5  UNL     1      -0.341  -0.339  -1.382  1.00  0.00           O  
HETATM    8  C2  UNL     1      -1.586  -0.812  -1.131  1.00  0.00           C  
HETATM    9  C3  UNL     1      -2.325  -0.158  -0.011  1.00  0.00           C  
HETATM   10  O6  UNL     1      -3.254   0.775  -0.480  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.425   0.432   1.046  1.00  0.00           C  
HETATM   12  O7  UNL     1      -1.091   1.720   0.670  1.00  0.00           O  
HETATM   13  C5  UNL     1      -0.157  -0.432   1.009  1.00  0.00           C  
HETATM   14  O8  UNL     1      -0.505  -1.789   1.033  1.00  0.00           O  
HETATM   15  H1  UNL     1       2.347   2.149  -0.934  1.00  0.00           H  
HETATM   16  H2  UNL     1       5.063  -0.327   0.337  1.00  0.00           H  
HETATM   17  H3  UNL     1       0.787   0.946  -0.323  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.579  -1.939  -1.038  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.199  -0.636  -2.066  1.00  0.00           H  
HETATM   20  H6  UNL     1      -2.927  -0.956   0.502  1.00  0.00           H  
HETATM   21  H7  UNL     1      -3.719   1.202   0.252  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.876   0.394   2.057  1.00  0.00           H  
HETATM   23  H9  UNL     1      -1.559   2.011  -0.147  1.00  0.00           H  
HETATM   24  H10 UNL     1       0.513  -0.163   1.828  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.221  -2.281   0.579  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   15
CONECT    4   16
CONECT    5    6
CONECT    6    7   13   17
CONECT    7    8
CONECT    8    9   18   19
CONECT    9   10   11   20
CONECT   10   21
CONECT   11   12   13   22
CONECT   12   23
CONECT   13   14   24
CONECT   14   25
END
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SMILES for HMDB0012195 (beta-L-Arabinose 1-phosphate)

[H][C@]1(O)CO[C@]([H])(OP(O)(O)=O)[C@]([H])(O)[C@@]1([H])O
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INCHI for HMDB0012195 (beta-L-Arabinose 1-phosphate)

InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1-O-Phosphono-beta-L-arabinopyranoseChEBI
1-O-Phosphono-b-L-arabinopyranoseGenerator
1-O-Phosphono-β-L-arabinopyranoseGenerator
b-L-Arabinose 1-phosphateGenerator
b-L-Arabinose 1-phosphoric acidGenerator
beta-L-Arabinose 1-phosphoric acidGenerator
Β-L-arabinose 1-phosphateGenerator
Β-L-arabinose 1-phosphoric acidGenerator
beta-L-Arabinopyranose 1-(dihydrogen phosphate)HMDB
beta-L-Arabinose 1-PHMDB
beta-L-Arabinopyranose-1-phosphateHMDB
β-L-Arabinopyranose-1-phosphateHMDB
Chemical FormulaC5H11O8P
Average Molecular Weight230.1098
Monoisotopic Molecular Weight230.01915384
IUPAC Name{[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}phosphonic acid
Traditional Nameβ-L-arabinose 1-phosphate
CAS Registry Number50574-25-9
SMILES
O[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O
InChI Identifier
InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4+,5+/m0/s1
InChI KeyILXHFXFPPZGENN-QMKXCQHVSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentMonoalkyl phosphates
Alternative Parents
Substituents
  • Monoalkyl phosphate
  • Oxane
  • Monosaccharide
  • Secondary alcohol
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • 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 Solubility35 g/LALOGPS
logP-1.9ALOGPS
logP-2.4ChemAxon
logS-0.82ALOGPS
pKa (Strongest Acidic)1.16ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area136.68 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity40.83 m³·mol⁻¹ChemAxon
Polarizability17.82 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]+150.3131661259
DarkChem[M-H]-146.60431661259
DeepCCS[M+H]+142.00130932474
DeepCCS[M-H]-139.63130932474
DeepCCS[M-2H]-174.12730932474
DeepCCS[M+Na]+148.4330932474
AllCCS[M+H]+150.432859911
AllCCS[M+H-H2O]+146.532859911
AllCCS[M+NH4]+154.032859911
AllCCS[M+Na]+155.032859911
AllCCS[M-H]-140.132859911
AllCCS[M+Na-2H]-140.732859911
AllCCS[M+HCOO]-141.532859911

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, 2022.1.49 minutes32390414
Predicted by Siyang on May 30, 20229.2854 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20228.54 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid444.4 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid437.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid310.4 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid25.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid196.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid92.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid300.2 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 Acid231.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)837.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid565.4 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid43.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid625.7 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid198.5 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid334.8 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate900.3 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA505.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water459.0 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
beta-L-Arabinose 1-phosphateO[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O2799.2Standard polar33892256
beta-L-Arabinose 1-phosphateO[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O2007.8Standard non polar33892256
beta-L-Arabinose 1-phosphateO[C@H]1CO[C@H](OP(O)(O)=O)[C@H](O)[C@H]1O1989.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
beta-L-Arabinose 1-phosphate,1TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O1925.9Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,1TMS,isomer #2C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1OP(=O)(O)O1907.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,1TMS,isomer #3C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O)[C@@H]1O1909.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,1TMS,isomer #4C[Si](C)(C)OP(=O)(O)O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O1944.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O1908.6Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #2C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C1915.5Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #3C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O1958.3Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #4C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C1923.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #5C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1OP(=O)(O)O[Si](C)(C)C1941.6Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #6C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O1951.8Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TMS,isomer #7C[Si](C)(C)OP(=O)(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C1942.7Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1948.7Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #2C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O1948.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #3C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C1939.1Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #4C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O1921.3Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #5C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C1972.3Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #6C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C1935.0Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TMS,isomer #7C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O1964.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1995.1Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2002.9Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2381.5Standard polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #2C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O2010.0Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #2C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O2069.4Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #2C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O2323.4Standard polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C2020.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C2039.1Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #3C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C2281.6Standard polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2034.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2039.4Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TMS,isomer #4C[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C2261.8Standard polar33892256
beta-L-Arabinose 1-phosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2068.9Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2079.6Standard non polar33892256
beta-L-Arabinose 1-phosphate,5TMS,isomer #1C[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C2210.5Standard polar33892256
beta-L-Arabinose 1-phosphate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O2190.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1OP(=O)(O)O2182.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O)[C@@H]1O2176.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O2190.7Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2349.1Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2369.5Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O2395.0Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O)[C@@H]1O[Si](C)(C)C(C)(C)C2370.5Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C2374.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O2382.6Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1OC[C@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C2395.7Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2596.5Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2602.1Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2595.2Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O2599.4Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2599.0Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2598.1Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O2590.3Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)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)C2809.6Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)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)C2744.1Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O)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)C2759.6Standard polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2805.6Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2780.7Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2720.4Standard polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2797.5Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2746.7Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2687.3Standard polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2798.5Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2751.3Standard non polar33892256
beta-L-Arabinose 1-phosphate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C2676.5Standard polar33892256
beta-L-Arabinose 1-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C3033.1Semi standard non polar33892256
beta-L-Arabinose 1-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C2919.8Standard non polar33892256
beta-L-Arabinose 1-phosphate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)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)C2712.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - beta-L-Arabinose 1-phosphate GC-MS (Non-derivatized) - 70eV, Positivesplash10-0002-9210000000-e717ca6fd198dd0ab3bc2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-L-Arabinose 1-phosphate GC-MS (3 TMS) - 70eV, Positivesplash10-0fsj-5921300000-66f99e59844ada30db622017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-L-Arabinose 1-phosphate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 10V, Positive-QTOFsplash10-0002-9140000000-fa94ea68ba1d4ea392042017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 20V, Positive-QTOFsplash10-000t-9230000000-d4cbeeabfaf8cb4ae6ed2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 40V, Positive-QTOFsplash10-0002-9000000000-60977c30cc1377cc70512017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 10V, Negative-QTOFsplash10-004i-9080000000-2b718fd983b63e02a4e92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 20V, Negative-QTOFsplash10-004i-9010000000-ec52c1d13e7a84d1e1a72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-77959e6a05fa0660356f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 10V, Negative-QTOFsplash10-004i-2090000000-16317cc721671d3e09a42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 20V, Negative-QTOFsplash10-004i-9000000000-6d7fafa783a54de5917f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 40V, Negative-QTOFsplash10-004i-9000000000-a4caf9b3a163a38379822021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 10V, Positive-QTOFsplash10-001i-0090000000-0a0eeeeedfebf184db492021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 20V, Positive-QTOFsplash10-000t-9100000000-5783347a3479a7b807722021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-L-Arabinose 1-phosphate 40V, Positive-QTOFsplash10-052e-9100000000-6eb4f915358efc1b64472021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
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 IDFDB028844
KNApSAcK IDNot Available
Chemspider ID389151
KEGG Compound IDC03906
BioCyc IDCPD-1825
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440160
PDB IDNot Available
ChEBI ID15807
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available