NP-MRD: Showing NP-Card for Adenosine 2'-phosphate (NP0136922)

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Record Information

Version

1.0

Created at

2022-05-12 17:06:00 UTC

Updated at

2022-10-01 14:14:14 UTC

NP-MRD ID

NP0136922

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Adenosine 2'-phosphate

Description

Adenosine 2'-phosphate, also known as 2'-adenylic acid or AMP 2'-phosphate, 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 1959 (PMID: 13675287). Adenosine 2'-phosphate is a strong basic compound (based on its pKa) (PMID: 32033212).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 37 39  0  0  0  0  0  0  0  0999 V2000
    4.9813    1.8357    0.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7174    1.4335   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2600    1.6647   -1.6754 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0370    1.2528   -2.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2005    0.5926   -1.2290 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6056    0.3396    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8566    0.7539    0.4181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9946    0.3744    1.6798 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8627   -0.2572    2.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9843   -0.2905    1.0234 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -0.8922    1.1012 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3723   -2.1318    0.4534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7178   -2.4475    0.6101 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1554   -3.5598   -0.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9809   -3.2379   -1.6430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973   -1.1738    0.3577 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3786   -1.0076    1.3999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821   -0.1197    0.3695 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7268    0.9759    1.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6048    2.4354    0.3497 P   0  0  2  0  0  5  0  0  0  0  0  0
   -2.5502    3.4165    1.0488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9301    2.3602   -1.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0468    3.0890    0.5332 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0895    2.7119    0.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8143    1.2573   -0.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7524    1.4878   -3.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337   -0.6642    3.0472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6368   -1.0077    2.1387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8444   -2.8059    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619   -3.6729   -0.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7001   -4.5100   -0.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7443   -2.7759   -2.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9824   -1.2163   -0.6370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9118   -0.5548    2.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0659    0.1220   -0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1218    2.4307   -1.8636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0297    3.7917   -0.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 20 19  1  1
 20 22  1  0
 20 23  1  0
 20 21  2  0
  7  2  1  0
 18 11  1  0
 10  6  1  0
  1 24  1  0
  1 25  1  0
  4 26  1  0
  9 27  1  0
 11 28  1  1
 13 29  1  1
 14 30  1  0
 14 31  1  0
 15 32  1  0
 16 33  1  6
 17 34  1  0
 18 35  1  6
 22 36  1  0
 23 37  1  0
M  END


  Mrv0541 02241201472D          

 23 25  0  0  1  0            999 V2000
    9.4695   -8.8941    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.9845   -9.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1369   -9.3790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8020   -8.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2202   -5.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2202   -6.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058   -5.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058   -7.0184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7913   -5.7809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7913   -6.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0048   -5.5260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4898   -6.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0048   -6.8609    0.0000 N   0  0  2  0  0  0  0  0  0  0  0  0
   11.2598   -7.6455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0444   -7.9004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7749   -8.3129    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2598   -8.9804    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0444   -8.7254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7118   -9.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6256  -10.0308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5058   -4.5434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9544   -8.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0048   -9.7650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
  6  5  2  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 13 14  1  6  0  0  0
 16 14  1  0  0  0  0
 15 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  6  0  0  0
 19 20  1  0  0  0  0
 21  7  1  0  0  0  0
 22  1  1  0  0  0  0
 16 22  1  1  0  0  0
 17 23  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0136922

> <DATABASE_NAME>
NP-MRD

> <SMILES>
NC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1

> <INCHI_KEY>
QDFHPFSBQFLLSW-VTHZCTBJSA-N

> <FORMULA>
C10H14N5O7P

> <MOLECULAR_WEIGHT>
347.2212

> <EXACT_MASS>
347.063084339

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
29.372351171757373

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-3.13

> <JCHEM_LOGP>
-4.813372996938782

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.815683881751797

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.6902710437260553

> <JCHEM_PKA_STRONGEST_BASIC>
4.913987171046688

> <JCHEM_POLAR_SURFACE_AREA>
186.07

> <JCHEM_REFRACTIVITY>
74.0685

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.51e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  P   UNK     0      17.676 -16.602   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      16.771 -17.848   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      18.922 -17.507   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      16.430 -15.697   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      19.078 -10.791   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      19.078 -12.331   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      17.744 -10.021   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      17.744 -13.101   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      16.410 -10.791   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      16.410 -12.331   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      20.542 -10.315   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0      21.448 -11.561   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      20.542 -12.807   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      21.018 -14.272   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      22.483 -14.747   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      20.113 -15.517   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      21.018 -16.763   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.483 -16.287   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      23.729 -17.193   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      23.568 -18.724   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      17.744  -8.481   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0      18.582 -15.357   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      20.542 -18.228   0.000  0.00  0.00           O+0
CONECT    1    2    3    4   22                                             
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    7   11    6                                                  
CONECT    6    8    5   13                                                  
CONECT    7    5    9   21                                                  
CONECT    8    6   10                                                       
CONECT    9    7   10                                                       
CONECT   10    8    9                                                       
CONECT   11    5   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12    6   14                                                  
CONECT   14   13   16   15                                                  
CONECT   15   14   18                                                       
CONECT   16   14   17   22                                                  
CONECT   17   16   18   23                                                  
CONECT   18   15   17   19                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21    7                                                            
CONECT   22    1   16                                                       
CONECT   23   17                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

View in JSmol

Synonyms

Value	Source
Adenosine 2'-phosphoric acid	Generator
2'-Adenylic acid	HMDB
Adenosine-2'-monophosphate	HMDB
AMP 2'-Phosphate	HMDB
2'-AMP	HMDB
2'-Adenosine monophosphate	HMDB
Adenosine 2' phosphate	HMDB
Adenosine monophosphate	HMDB
Adenosine phosphate disodium	HMDB
Phosphate dipotassium, adenosine	HMDB
5'-Phosphate, adenosine	HMDB
AMP	HMDB
Acid, 2'-adenylic	HMDB
Acid, 5'-adenylic	HMDB
Adenosine 5' phosphate	HMDB
Adenosine 5'-phosphate	HMDB
Adenosine phosphate dipotassium	HMDB
Phosphaden	HMDB
Phosphate disodium, adenosine	HMDB
2' Adenosine monophosphate	HMDB
5'-Adenylic acid	HMDB
Adenosine 3' phosphate	HMDB
Dipotassium, adenosine phosphate	HMDB
Disodium, adenosine phosphate	HMDB
2' Adenylic acid	HMDB
5' Adenylic acid	HMDB
Adenosine 3'-phosphate	HMDB
Adenylic acid	HMDB
monoPhosphate, 2'-adenosine	HMDB
{[(3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonate	HMDB
Adenosine 2'-phosphate	MeSH

Chemical Formula

C₁₀H₁₄N₅O₇P

Average Mass

347.2212 Da

Monoisotopic Mass

347.06308 Da

IUPAC Name

{[(3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

Traditional Name

[(3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

NC1=NC=NC2=C1N=CN2C1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O

InChI Identifier

InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1

InChI Key

QDFHPFSBQFLLSW-VTHZCTBJSA-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
N-glycosyl compound
Glycosyl compound
6-aminopurine
Purine
Imidazopyrimidine
Monoalkyl phosphate
Aminopyrimidine
Phosphoric acid ester
Imidolactam
Alkyl phosphate
Pyrimidine
N-substituted imidazole
Organic phosphoric acid derivative
Imidazole
Tetrahydrofuran
Azole
Heteroaromatic compound
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Amine
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Primary amine
Primary alcohol
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

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	-3.1	ALOGPS
logP	-4.8	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	0.69	ChemAxon
pKa (Strongest Basic)	4.91	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	186.07 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	74.07 m³·mol⁻¹	ChemAxon
Polarizability	29.37 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

HMDB0011617

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB028322

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C00946

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

53481006

PDB ID

Not Available

ChEBI ID

28223

Good Scents ID

Not Available

References

General References

Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
HOLLANDER VP, HOLLANDER N, BROWN JD: Inhibition of steroid-mediated pyridine nucleotide transhydrogenase and 17-betta-hydroxysteroid dehydrogenase by 2'adenylic acid. Proc Soc Exp Biol Med. 1959 Jul;101(3):475-7. doi: 10.3181/00379727-101-24986. [PubMed:13675287 ]

Showing NP-Card for Adenosine 2'-phosphate (NP0136922)

MOL for NP0136922 (Adenosine 2'-phosphate)

3D MOL for NP0136922 (Adenosine 2'-phosphate)

3D SDF for NP0136922 (Adenosine 2'-phosphate)

3D-SDF for NP0136922 (Adenosine 2'-phosphate)

PDB for NP0136922 (Adenosine 2'-phosphate)

3D PDB for NP0136922 (Adenosine 2'-phosphate)

SMILES for NP0136922 (Adenosine 2'-phosphate)

INCHI for NP0136922 (Adenosine 2'-phosphate)

Structure for NP0136922 (Adenosine 2'-phosphate)

3D Structure for NP0136922 (Adenosine 2'-phosphate)