NP-MRD: Showing NP-Card for Imidazoleacetic acid ribotide (NP0087441)

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Record Information

Version

1.0

Created at

2022-05-11 16:49:45 UTC

Updated at

2022-05-11 16:49:46 UTC

NP-MRD ID

NP0087441

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Imidazoleacetic acid ribotide

Description

Imidazoleacetic acid ribotide, also known as IAA-RP, 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. It was first documented in 2004 (PMID: 15365189). Imidazoleacetic acid ribotide is a very strong basic compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 38  0  0  0  0  0  0  0  0999 V2000
    5.4429    3.0786    0.0701 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8958    1.9902   -0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5622    1.8789   -1.6477 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6181    0.8638    0.6486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5143    0.0455    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1498    0.1119    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691   -0.8639   -0.4301 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1673   -1.1716   -0.5268 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6812   -0.1101   -0.6092 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9428   -0.6659   -0.4443 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9060    0.3329    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9895    1.4183   -0.6781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0711    2.5220    0.0011 P   0  0  2  0  0  5  0  0  0  0  0  0
   -5.4963    1.9896   -0.0198 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0517    3.9901   -0.8615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5641    2.7721    1.5958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8040   -1.9013    0.4162 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9932   -3.0038   -0.4148 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3153   -1.8683    0.7560 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2673   -3.1243    0.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328   -1.5624   -1.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -1.0009   -0.7341 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    1.5144   -1.8235 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3853    1.2525    1.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2387    0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6558    0.8345    0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0370   -1.8674   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3225   -0.9138   -1.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5621    0.6051    1.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8874   -0.1685    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4057    3.9933   -1.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9316    2.0425    2.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376   -1.9124    1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478   -3.8154    0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -1.2749    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3021   -3.8384    1.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4281   -2.4119   -1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
 18 17  1  0
 17 10  1  0
 10 11  1  0
 11 12  1  0
 13 12  1  6
 13 15  1  0
 13 16  1  0
 13 14  2  0
 10  9  1  0
  9  8  1  0
  8 19  1  0
 19 20  1  0
  8  7  1  0
  7 21  1  0
 21 22  2  0
 22  5  1  0
  5  4  1  0
  4  2  1  0
  2  3  1  0
  2  1  2  0
  5  6  2  0
 19 17  1  0
  6  7  1  0
 18 34  1  0
 17 33  1  1
 10 28  1  6
 11 29  1  0
 11 30  1  0
 15 31  1  0
 16 32  1  0
  8 27  1  6
 19 35  1  1
 20 36  1  0
 21 37  1  0
  4 24  1  0
  4 25  1  0
  3 23  1  0
  6 26  1  0
M  END


  Mrv0541 02231220322D          

 22 23  0  0  1  0            999 V2000
   19.0493  -10.0977    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.5139   -8.0644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3944   -7.8096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9491   -9.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5644   -9.4304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7168   -9.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5343  -10.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3819  -10.5827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8933   -3.3965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5879   -3.9777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8465   -6.7545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4340   -5.4849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1790   -8.0644    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.4340   -8.8491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.8465   -7.5796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2591   -8.8491    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7439   -9.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5139   -6.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1790   -6.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2591   -5.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7439   -4.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4084   -4.0638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
 13  3  1  1  0  0  0
 14  4  1  1  0  0  0
  5 17  1  0  0  0  0
  9 22  1  0  0  0  0
 10 22  2  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 12 19  2  0  0  0  0
 12 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  6  0  0  0
 18 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0087441

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)N1C=NC(CC(O)=O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10?/m1/s1

> <INCHI_KEY>
RDQUQBHPMYFYMX-XIWVQZPPSA-N

> <FORMULA>
C10H15N2O9P

> <MOLECULAR_WEIGHT>
338.2079

> <EXACT_MASS>
338.0515166

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
28.94000957343873

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{1-[(3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}acetic acid

> <ALOGPS_LOGP>
-1.74

> <JCHEM_LOGP>
-3.567933298842268

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.398128613729099

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2217870822945036

> <JCHEM_PKA_STRONGEST_BASIC>
5.904492152576091

> <JCHEM_POLAR_SURFACE_AREA>
171.57

> <JCHEM_REFRACTIVITY>
67.41760000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.74e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{1-[(3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  P   UNK     0      35.559 -18.849   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      32.693 -15.054   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      28.736 -14.578   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      29.772 -17.764   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      34.654 -17.603   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      36.805 -17.944   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      36.464 -20.095   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      34.313 -19.754   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      33.401  -6.340   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      30.964  -7.425   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0      31.447 -12.608   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      30.677 -10.238   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      30.201 -15.054   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.677 -16.518   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.447 -14.149   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      32.217 -16.518   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      33.122 -17.764   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      32.693 -11.703   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      30.201 -11.703   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      32.217 -10.238   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      33.122  -8.993   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      32.496  -7.586   0.000  0.00  0.00           C+0
CONECT    1    5    6    7    8                                             
CONECT    2   15   16                                                       
CONECT    3   13                                                            
CONECT    4   14                                                            
CONECT    5    1   17                                                       
CONECT    6    1                                                            
CONECT    7    1                                                            
CONECT    8    1                                                            
CONECT    9   22                                                            
CONECT   10   22                                                            
CONECT   11   15   18   19                                                  
CONECT   12   19   20                                                       
CONECT   13    3   14   15                                                  
CONECT   14    4   13   16                                                  
CONECT   15    2   11   13                                                  
CONECT   16    2   14   17                                                  
CONECT   17    5   16                                                       
CONECT   18   11   20                                                       
CONECT   19   11   12                                                       
CONECT   20   12   18   21                                                  
CONECT   21   20   22                                                       
CONECT   22    9   10   21                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Value	Source
1-(5-Phosphoribosyl)imidazole-4-acetate	ChEBI
1-(5-Phosphoribosyl)imidazole-4-acetic acid	Generator
Imidazoleacetate ribotide	Generator
1-(5-Phosphoribosyl)imidazol-4-ylacetic acid	HMDB
1-(5-Phosphoribosyl)imidazol-4-ylacetate	HMDB
1-(5-O-Phosphono-b-D-ribofuranosyl)-1H-imidazole-4-acetic acid	HMDB
1-(5-O-Phosphono-beta-delta-ribofuranosyl)-1H-imidazole-4-acetic acid	HMDB
1-b-D-Ribofuranosyl-imidazole-4-acetic acid 5'-(dihydrogen phosphate)	HMDB
1-b-D-Ribofuranosyl-imidazole-4-acetic acid 5'-phosphate	HMDB
1-beta-delta-Ribofuranosyl-imidazole-4-acetic acid 5'-(dihydrogen phosphate)	HMDB
1-beta-delta-Ribofuranosyl-imidazole-4-acetic acid 5'-phosphate	HMDB
1-Ribosylimidazole-4-acetic acid 5'-phosphate	HMDB
Imidazole-4-acetic acid ribotide	HMDB
[1-(5-Phosphoribofuranosyl)imidazol-4-yl]acetic acid	HMDB
[1-(5-Phosphoribosyl)imidazol-4-yl]acetic acid	HMDB
[1-(5-Phosphoribosyl)imidazol-4-yl]acetate	HMDB
IAA-RP	HMDB
Imidazoleacetic acid ribotide	MeSH

Chemical Formula

C₁₀H₁₅N₂O₉P

Average Mass

338.2079 Da

Monoisotopic Mass

338.05152 Da

IUPAC Name

2-{1-[(3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-4-yl}acetic acid

Traditional Name

{1-[(3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}acetic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@@H]1O)N1C=NC(CC(O)=O)=C1

InChI Identifier

InChI=1S/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/t6-,8-,9-,10?/m1/s1

InChI Key

RDQUQBHPMYFYMX-XIWVQZPPSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

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.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentose phosphates

Alternative Parents

Substituents

Pentose phosphate
Pentose-5-phosphate
Imidazole ribonucleoside
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Imidazolyl carboxylic acid derivative
Monoalkyl phosphate
N-substituted imidazole
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Tetrahydrofuran
Heteroaromatic compound
Azole
Imidazole
Secondary alcohol
1,2-diol
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Azacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic oxide
Alcohol
Hydrocarbon derivative
Organopnictogen compound
Carbonyl group
Organic nitrogen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

N-glycosyl compound (CHEBI:16805 )
ribose monophosphate (CHEBI:16805 )
imidazolyl carboxylic acid (CHEBI:16805 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-1.7	ALOGPS
logP	-3.6	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	5.9	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	171.57 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	67.42 m³·mol⁻¹	ChemAxon
Polarizability	28.94 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0006032

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023810

KNApSAcK ID

Not Available

Chemspider ID

13148709

KEGG Compound ID

C04437

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16019958

PDB ID

Not Available

ChEBI ID

16805

Good Scents ID

Not Available

References

General References

Prell GD, Martinelli GP, Holstein GR, Matulic-Adamic J, Watanabe KA, Chan SL, Morgan NG, Haxhiu MA, Ernsberger P: Imidazoleacetic acid-ribotide: an endogenous ligand that stimulates imidazol(in)e receptors. Proc Natl Acad Sci U S A. 2004 Sep 14;101(37):13677-82. doi: 10.1073/pnas.0404846101. Epub 2004 Sep 13. [PubMed:15365189 ]

Showing NP-Card for Imidazoleacetic acid ribotide (NP0087441)

MOL for NP0087441 (Imidazoleacetic acid ribotide)

3D MOL for NP0087441 (Imidazoleacetic acid ribotide)

3D SDF for NP0087441 (Imidazoleacetic acid ribotide)

3D-SDF for NP0087441 (Imidazoleacetic acid ribotide)

PDB for NP0087441 (Imidazoleacetic acid ribotide)

3D PDB for NP0087441 (Imidazoleacetic acid ribotide)

SMILES for NP0087441 (Imidazoleacetic acid ribotide)

INCHI for NP0087441 (Imidazoleacetic acid ribotide)

Structure for NP0087441 (Imidazoleacetic acid ribotide)

3D Structure for NP0087441 (Imidazoleacetic acid ribotide)