NP-MRD: Showing NP-Card for dIMP (NP0087544)

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Record Information

Version

2.0

Created at

2022-05-11 16:52:38 UTC

Updated at

2022-05-11 16:52:38 UTC

NP-MRD ID

NP0087544

Secondary Accession Numbers

None

Natural Product Identification

Common Name

dIMP

Description

DIMP, also known as deoxy imp, belongs to the class of organic compounds known as purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2. A deoxyinosine phosphate that is 5'-inosinic acid in which the hydroxy group at position 2' by a hydrogen atom. DIMP is a moderately basic compound (based on its pKa). dIMP was first documented in 1994 (PMID: 8016081). DIMP exists in all living organisms, ranging from bacteria to humans (PMID: 10684927) (PMID: 20542141) (PMID: 23385455).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.2740   -1.1473   -0.5897 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0591   -0.8675   -0.7775 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5408   -0.8324   -2.0244 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2434   -0.5346   -2.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4215   -0.2632   -1.2292 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9130   -0.2908    0.0332 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2338   -0.5911    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994   -0.5346    1.6289 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2220   -0.2096    2.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828   -0.0528    1.2221 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9089    0.2915    1.3958 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5267    1.6031    0.7659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189    1.2757    0.1514 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7252    2.3109    0.3259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1893    0.0411    0.9395 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3106   -0.7316    0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4573    0.0331    0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7849   -0.7265   -0.3077 P   0  0  1  0  0  5  0  0  0  0  0  0
   -5.3337   -1.8409    0.5450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0175    0.3996   -0.6183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3790   -1.4178   -1.8180 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0245   -0.6668    0.8983 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8377   -0.5090   -3.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4083   -0.0273   -1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263   -0.0851    3.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6983    0.3734    2.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    1.9586    0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3780    2.4134    1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604    1.0297   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1094    2.6487   -0.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577    0.3317    1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0659   -1.0706   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4771   -1.6367    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6335    1.2521   -0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1348   -1.9261   -2.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 22  1  0
 22 15  1  0
 15 16  1  0
 16 17  1  0
 18 17  1  1
 18 20  1  0
 18 21  1  0
 18 19  2  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  2  0
  6  5  1  0
  5  4  1  0
  4  3  2  0
  3  2  1  0
  2  1  2  0
 15 13  1  0
  6 10  1  0
  2  7  1  0
 14 30  1  0
 13 29  1  6
 12 27  1  0
 12 28  1  0
 11 26  1  1
 15 31  1  1
 16 32  1  0
 16 33  1  0
 20 34  1  0
 21 35  1  0
  9 25  1  0
  5 24  1  0
  4 23  1  0
M  END


  Mrv0541 02231220432D          

 22 24  0  0  1  0            999 V2000
   18.0791   -4.0947    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.5471   -6.9435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4856   -6.0494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3327   -4.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8642   -3.8411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8255   -3.3096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2794  -10.7099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2940   -4.3483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7746   -8.3960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2794   -8.2349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7746   -9.7238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5650   -9.4724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.0308   -7.6118    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.8174   -6.5332    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.8159   -7.3582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0332   -6.2770    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.7796   -5.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9940   -8.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2561   -9.0599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9940   -9.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2794   -9.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5650   -8.6474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  8  2  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
 14  3  1  1  0  0  0
  4 17  1  0  0  0  0
  7 21  2  0  0  0  0
 13  9  1  6  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 18  1  0  0  0  0
 10 22  1  0  0  0  0
 11 19  2  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  2  0  0  0  0
 13 15  1  0  0  0  0
 14 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
M  END
> <DATABASE_ID>
NP0087544

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1NC=NC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1

> <INCHI_KEY>
PHNGFPPXDJJADG-RRKCRQDMSA-N

> <FORMULA>
C10H13N4O7P

> <MOLECULAR_WEIGHT>
332.2066

> <EXACT_MASS>
332.052185302

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
27.21289510735804

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-1.58

> <JCHEM_LOGP>
-2.6103145453338015

> <ALOGPS_LOGS>
-2.20

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
6.176487600014412

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2190853577630598

> <JCHEM_PKA_STRONGEST_BASIC>
2.766144770170425

> <JCHEM_POLAR_SURFACE_AREA>
155.5

> <JCHEM_REFRACTIVITY>
70.2606

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.10e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic 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      33.748  -7.643   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      32.755 -12.961   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      36.373 -11.292   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      34.221  -9.109   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      35.213  -7.170   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      33.274  -6.178   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      30.388 -19.992   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      32.282  -8.117   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      33.179 -15.673   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      30.388 -15.372   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      33.179 -18.151   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      29.055 -17.682   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      33.657 -14.209   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      35.126 -12.195   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      35.123 -13.735   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.662 -11.717   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      33.189 -10.252   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      31.722 -16.142   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      34.078 -16.912   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      31.722 -17.682   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      30.388 -18.452   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      29.055 -16.142   0.000  0.00  0.00           C+0
CONECT    1    4    5    6    8                                             
CONECT    2   13   16                                                       
CONECT    3   14                                                            
CONECT    4    1   17                                                       
CONECT    5    1                                                            
CONECT    6    1                                                            
CONECT    7   21                                                            
CONECT    8    1                                                            
CONECT    9   13   18   19                                                  
CONECT   10   18   22                                                       
CONECT   11   19   20                                                       
CONECT   12   21   22                                                       
CONECT   13    2    9   15                                                  
CONECT   14    3   15   16                                                  
CONECT   15   13   14                                                       
CONECT   16    2   14   17                                                  
CONECT   17    4   16                                                       
CONECT   18    9   10   20                                                  
CONECT   19    9   11                                                       
CONECT   20   11   18   21                                                  
CONECT   21    7   12   20                                                  
CONECT   22   10   12                                                       
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

View in JSmol

Synonyms

Value	Source
2'-Deoxy-5'-inosinic acid	ChEBI
2'-Deoxyinosine 5'-monophosphate	ChEBI
2'-Deoxyinosine 5'-monophosphoric acid	ChEBI
2'-Deoxyinosine 5'-phosphate	ChEBI
9-(2-Deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol	ChEBI
9-(2-Deoxy-5-O-phosphono-beta-delta-erythro-pentofuranosyl)-9H-purin-6-ol	ChEBI
Deoxyinosine monophosphate	ChEBI
2'-Deoxy-5'-inosinate	Generator
2'-Deoxyinosine 5'-phosphoric acid	Generator
9-(2-Deoxy-5-O-phosphono-b-D-erythro-pentofuranosyl)-9H-purin-6-ol	Generator
9-(2-Deoxy-5-O-phosphono-β-D-erythro-pentofuranosyl)-9H-purin-6-ol	Generator
9-(2-Deoxy-5-O-phosphono-b-delta-erythro-pentofuranosyl)-9H-purin-6-ol	Generator
9-(2-Deoxy-5-O-phosphono-β-δ-erythro-pentofuranosyl)-9H-purin-6-ol	Generator
Deoxyinosine monophosphoric acid	Generator
9-(2-Deoxy-5-O-phosphono-b-δ-erythro-pentofuranosyl)-9H-purin-6-ol	HMDB
Hypoxanthine deoxyriboside	HMDB
[(2R,3S,4R,5R)-3-Hydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate	HMDB
Deoxy imp	HMDB
2'-Deoxyinosine-5'-monophosphoric acid	HMDB
DIMP	ChEBI

Chemical Formula

C₁₀H₁₃N₄O₇P

Average Mass

332.2066 Da

Monoisotopic Mass

332.05219 Da

IUPAC Name

{[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[(2R,3S,5R)-3-hydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=NC2=C1NC=NC2=O

InChI Identifier

InChI=1S/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1

InChI Key

PHNGFPPXDJJADG-RRKCRQDMSA-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 purine 2'-deoxyribonucleoside monophosphates. These are purine nucleotides with monophosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine deoxyribonucleotides

Direct Parent

Purine 2'-deoxyribonucleoside monophosphates

Alternative Parents

Substituents

Purine 2'-deoxyribonucleoside monophosphate
Hypoxanthine
Imidazopyrimidine
Purine
Hydroxypyrimidine
Monoalkyl phosphate
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Azole
Imidazole
Heteroaromatic compound
Tetrahydrofuran
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

purine 2'-deoxyribonucleoside 5'-monophosphate (CHEBI:28806 )
deoxyinosine phosphate (CHEBI:28806 )

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	-1.6	ALOGPS
logP	-2.6	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	1.22	ChemAxon
pKa (Strongest Basic)	2.77	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	155.5 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	70.26 m³·mol⁻¹	ChemAxon
Polarizability	27.21 Å³	ChemAxon
Number of Rings	3	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

HMDB0006555

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023969

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Deoxyinosine_monophosphate

METLIN ID

Not Available

PubChem Compound

91531

PDB ID

Not Available

ChEBI ID

28806

Good Scents ID

Not Available

References

General References

Saparbaev M, Mani JC, Laval J: Interactions of the human, rat, Saccharomyces cerevisiae and Escherichia coli 3-methyladenine-DNA glycosylases with DNA containing dIMP residues. Nucleic Acids Res. 2000 Mar 15;28(6):1332-9. doi: 10.1093/nar/28.6.1332. [PubMed:10684927 ]
Saparbaev M, Laval J: Excision of hypoxanthine from DNA containing dIMP residues by the Escherichia coli, yeast, rat, and human alkylpurine DNA glycosylases. Proc Natl Acad Sci U S A. 1994 Jun 21;91(13):5873-7. doi: 10.1073/pnas.91.13.5873. [PubMed:8016081 ]
Tsuchimoto D, Iyama T, Nonaka M, Abolhassani N, Ohta E, Sakumi K, Nakabeppu Y: A comprehensive screening system for damaged nucleotide-binding proteins. Mutat Res. 2010 Nov 28;703(1):37-42. doi: 10.1016/j.mrgentox.2010.06.005. Epub 2010 Jun 11. [PubMed:20542141 ]
Awwad K, Desai A, Smith C, Sommerhalter M: Structural and functional characterization of a noncanonical nucleoside triphosphate pyrophosphatase from Thermotoga maritima. Acta Crystallogr D Biol Crystallogr. 2013 Feb;69(Pt 2):184-93. doi: 10.1107/S0907444912044630. Epub 2013 Jan 18. [PubMed:23385455 ]

Showing NP-Card for dIMP (NP0087544)

MOL for NP0087544 (dIMP)

3D MOL for NP0087544 (dIMP)

3D SDF for NP0087544 (dIMP)

3D-SDF for NP0087544 (dIMP)

PDB for NP0087544 (dIMP)

3D PDB for NP0087544 (dIMP)

SMILES for NP0087544 (dIMP)

INCHI for NP0087544 (dIMP)

Structure for NP0087544 (dIMP)

3D Structure for NP0087544 (dIMP)