Np mrd loader

Showing NP-Card for D-Ribulose 5-phosphate (NP0002677)

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Record Information
Version2.0
Created at2020-11-23 18:26:40 UTC
Updated at2021-08-12 19:51:50 UTC
NP-MRD IDNP0002677
Secondary Accession NumbersNone
Natural Product Identification
Common NameD-Ribulose 5-phosphate
Provided ByBMRBBMRB logo
DescriptionIn humans, ribose-5-phosphate is involved in the metabolic disorder called the ribose-5-phosphate isomerase deficiency pathway. Ribose-5-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. D-Ribulose 5-phosphate was first documented in 2021 (PMID: 34569089). Based on a literature review a small amount of articles have been published on Ribose-5-phosphate (PMID: 34572981) (PMID: 34512699) (PMID: 34476741).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0002677 (D-Ribulose 5-phosphate)


     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
    3.3999   -2.1164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017   -0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    1.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846   -0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593   -1.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929    0.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989    1.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325   -0.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6578   -1.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0794   -0.8929    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5581   -2.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    0.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5010   -0.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722   -0.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    3.0252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318   -1.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -1.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    1.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8945    1.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6540    0.6162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    1.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7972    1.0563    0.0000 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  2  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  5 18  1  1
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  6
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
Download

3D MOL for NP0002677 (D-Ribulose 5-phosphate)

NP0002677
     RDKit          3D

 25 24  0  0  0  0  0  0  0  0999 V2000
   -2.0056    0.3715    2.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5782    0.6978    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989    0.7164   -0.1294 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8407    1.2163   -1.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -0.6623   -0.5862 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6245   -1.5195   -0.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -1.3074    0.1407 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6516   -1.6811    1.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959   -0.3924    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9574   -0.9975    0.4900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    0.1201    0.3033 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2209   -0.5179   -0.6446 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.5339   -0.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    0.4627    1.7793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187    0.9826    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235    1.3897   -0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6769    2.1738   -1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894   -0.5821   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292   -2.1487    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -2.2319   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1863   -1.5587    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510    0.5195    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -0.0963   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.2606    0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    1.2507    1.6853 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
  3 16  1  1
  4 17  1  0
  5 18  1  6
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
Download

3D SDF for NP0002677 (D-Ribulose 5-phosphate)


     RDKit          2D

 25 24  0  0  0  0  0  0  0  0999 V2000
    3.3999   -2.1164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7017   -0.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7100    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7182    1.6037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5846   -0.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4593   -1.5052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5929    0.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3989    1.7373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325   -0.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6578   -1.3716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0794   -0.8929    0.0000 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.5581   -2.3144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6007    0.5287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5010   -0.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1722   -0.3509    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.4701    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1969    3.0252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318   -1.7513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7394   -1.7035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0456    1.2680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8945    1.6225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1575   -1.7117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6540    0.6162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5924    1.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7972    1.0563    0.0000 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  2  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
  3 16  1  6
  4 17  1  0
  5 18  1  1
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  6
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
> <DATABASE_ID>
NP0002677

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1

> <INCHI_KEY>
PPQRONHOSHZGFQ-LMVFSUKVSA-N

> <FORMULA>
C5H11O8P

> <MOLECULAR_WEIGHT>
230.1098

> <EXACT_MASS>
230.01915384

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
17.748830472189866

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-1.64

> <JCHEM_LOGP>
-3.0615916523333335

> <ALOGPS_LOGS>
-1.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.516819175661629

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4910102080971508

> <JCHEM_PKA_STRONGEST_BASIC>
-3.544450846242131

> <JCHEM_POLAR_SURFACE_AREA>
144.52

> <JCHEM_REFRACTIVITY>
42.256

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.93e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
D-ribose 5-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0002677 (D-Ribulose 5-phosphate)

NP0002677
     RDKit          3D

 25 24  0  0  0  0  0  0  0  0999 V2000
   -2.0056    0.3715    2.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5782    0.6978    1.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989    0.7164   -0.1294 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8407    1.2163   -1.0728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5371   -0.6623   -0.5862 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6245   -1.5195   -0.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4051   -1.3074    0.1407 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6516   -1.6811    1.4340 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959   -0.3924    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9574   -0.9975    0.4900 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2102    0.1201    0.3033 P   0  0  0  0  0  5  0  0  0  0  0  0
    4.2209   -0.5179   -0.6446 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6775    1.5339   -0.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572    0.4627    1.7793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6187    0.9826    1.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0235    1.3897   -0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6769    2.1738   -1.2551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894   -0.5821   -1.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292   -2.1487    0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339   -2.2319   -0.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1863   -1.5587    1.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510    0.5195    0.6466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -0.0963   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    2.2606    0.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5249    1.2507    1.6853 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
  3 16  1  1
  4 17  1  0
  5 18  1  6
  6 19  1  0
  7 20  1  6
  8 21  1  0
  9 22  1  0
  9 23  1  0
 13 24  1  0
 14 25  1  0
M  END
Download

PDB for NP0002677 (D-Ribulose 5-phosphate)

HEADER    PROTEIN                                 04-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   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       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   14  P   UNK     0       0.000   0.000   0.000  0.00  0.00           P+0
HETATM   15  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3    6                                                       
CONECT    2    4   13                                                       
CONECT    3    1    5    7   15                                             
CONECT    4    2    5    8   16                                             
CONECT    5    3    4    9   17                                             
CONECT    6    1                                                            
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9    5                                                            
CONECT   10   14                                                            
CONECT   11   14                                                            
CONECT   12   14                                                            
CONECT   13    2   14                                                       
CONECT   14   10   11   12   13                                             
CONECT   15    3                                                            
CONECT   16    4                                                            
CONECT   17    5                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END
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3D PDB for NP0002677 (D-Ribulose 5-phosphate)

COMPND    NP0002677
HETATM    1  O1  UNL     1      -2.006   0.371   2.190  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.578   0.698   1.181  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.899   0.716  -0.129  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.841   1.216  -1.073  1.00  0.00           O  
HETATM    5  C3  UNL     1      -1.537  -0.662  -0.586  1.00  0.00           C  
HETATM    6  O3  UNL     1      -2.625  -1.519  -0.624  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.405  -1.307   0.141  1.00  0.00           C  
HETATM    8  O4  UNL     1      -0.652  -1.681   1.434  1.00  0.00           O  
HETATM    9  C5  UNL     1       0.796  -0.392   0.023  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.957  -0.998   0.490  1.00  0.00           O  
HETATM   11  P1  UNL     1       3.210   0.120   0.303  1.00  0.00           P  
HETATM   12  O6  UNL     1       4.221  -0.518  -0.645  1.00  0.00           O  
HETATM   13  O7  UNL     1       2.678   1.534  -0.425  1.00  0.00           O  
HETATM   14  O8  UNL     1       3.957   0.463   1.779  1.00  0.00           O  
HETATM   15  H1  UNL     1      -3.619   0.983   1.250  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.024   1.390  -0.123  1.00  0.00           H  
HETATM   17  H3  UNL     1      -2.677   2.174  -1.255  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.189  -0.582  -1.676  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.629  -2.149   0.127  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.134  -2.232  -0.427  1.00  0.00           H  
HETATM   21  H7  UNL     1       0.186  -1.559   1.957  1.00  0.00           H  
HETATM   22  H8  UNL     1       0.651   0.520   0.647  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.951  -0.096  -1.016  1.00  0.00           H  
HETATM   24  H10 UNL     1       2.681   2.261   0.265  1.00  0.00           H  
HETATM   25  H11 UNL     1       4.525   1.251   1.685  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   15
CONECT    3    4    5   16
CONECT    4   17
CONECT    5    6    7   18
CONECT    6   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   22   23
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   24
CONECT   14   25
END
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SMILES for NP0002677 (D-Ribulose 5-phosphate)

[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@@]([H])(O)C=O
Download

INCHI for NP0002677 (D-Ribulose 5-phosphate)

InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
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View in JSmol
Synonyms
ValueSource
5-O-Phosphono-D-riboseChEBI
D-Ribose 5-phosphateChEBI
Ribose 5-phosphateChEBI
D-Ribose 5-phosphoric acidGenerator
Ribose 5-phosphoric acidGenerator
Ribose-5-phosphoric acidGenerator
aldehydo-D-Ribose 5-phosphoric acidGenerator
D-Ribose-5-phosphoric acidMeSH
Ribose-5-phosphateMeSH
Ribose-5-phosphoric acid, monosodium salt, (D-ribose)-isomerMeSH
Ribose-5-phosphoric acid, (D-ribose)-isomerMeSH
Ribose-5-phosphoric acid, (D-ribofuranose)-isomerMeSH
Ribose-5-phosphoric acid, monobarium salt, (D-ribose)-isomerMeSH
Ribose phosphateMeSH
Ribose 5-monophosphateMeSH
Chemical FormulaC5H11O8P
Average Mass230.1098 Da
Monoisotopic Mass230.01915 Da
IUPAC Name{[(2R,3R,4R)-2,3,4-trihydroxy-5-oxopentyl]oxy}phosphonic acid
Traditional NameD-ribose 5-phosphate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(COP(O)(O)=O)[C@@]([H])(O)[C@@]([H])(O)C=O
InChI Identifier
InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4+,5-/m0/s1
InChI KeyPPQRONHOSHZGFQ-LMVFSUKVSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Actinidia chinensisFooDB
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bubalus bubalisFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Ceratonia siliquaFooDB
CervidaeFooDB
Cervus canadensisFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corchorus olitoriusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Curcuma longaFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Dromaius novaehollandiaeFooDB
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Gallus gallusFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lagopus mutaFooDB
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Numida meleagrisFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
OdocoileusFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
Ovis ariesFooDB
Pachyrhizus erosusFooDB
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPentose phosphates
Alternative Parents
Substituents
  • Pentose phosphate
  • Monosaccharide phosphate
  • Monoalkyl phosphate
  • Beta-hydroxy aldehyde
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Polyol
  • Hydrocarbon derivative
  • Aldehyde
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.6ALOGPS
logP-3.1ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)1.49ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area144.52 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity42.26 m³·mol⁻¹ChemAxon
Polarizability17.75 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB02053
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID70368
KEGG Compound IDNot Available
BioCyc IDRIBOSE-5P
BiGG IDNot Available
Wikipedia LinkD-ribose_5-phosphate
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID17797
Good Scents IDNot Available
References
General References
  1. Guo L, Zhu Q, Liu H, Zhao J, Lu W, Wang J: Untargeted LC-MS-based metabonomic analysis of the effect of photoperiod on the testes of broiler roosters. J Anim Physiol Anim Nutr (Berl). 2021 Sep 26. doi: 10.1111/jpn.13642. [PubMed:34569089 ]
  2. Polat IH, Tarrado-Castellarnau M, Benito A, Hernandez-Carro C, Centelles J, Marin S, Cascante M: Glutamine Modulates Expression and Function of Glucose 6-Phosphate Dehydrogenase via NRF2 in Colon Cancer Cells. Antioxidants (Basel). 2021 Aug 25;10(9). pii: antiox10091349. doi: 10.3390/antiox10091349. [PubMed:34572981 ]
  3. Jung S, Koo KM, Ryu J, Baek I, Kwon SJ, Kim JB, Ahn JW: Overexpression of Phosphoribosyl Pyrophosphate Synthase Enhances Resistance of Chlamydomonas to Ionizing Radiation. Front Plant Sci. 2021 Aug 26;12:719846. doi: 10.3389/fpls.2021.719846. eCollection 2021. [PubMed:34512699 ]
  4. Prieto J, Garcia-Canaveras JC, Leon M, Sendra R, Ponsoda X, Izpisua Belmonte JC, Lahoz A, Torres J: c-MYC Triggers Lipid Remodelling During Early Somatic Cell Reprogramming to Pluripotency. Stem Cell Rev Rep. 2021 Sep 2. pii: 10.1007/s12015-021-10239-2. doi: 10.1007/s12015-021-10239-2. [PubMed:34476741 ]