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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-08-12 23:23:28 UTC

Update Date

2021-09-14 15:47:19 UTC

HMDB ID

HMDB0003540

Secondary Accession Numbers

HMDB0006550
HMDB03540
HMDB06550

Metabolite Identification

Common Name

3'-AMP

Description

3'-AMP, also known as 3'-adenylic acid or AMP 3'-phosphate, belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. 3'-AMP exists in all living organisms, ranging from bacteria to humans. In humans, 3'-AMP is involved in the pyrimidine metabolism pathway. 3'-AMP has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make 3'-AMP a potential biomarker for the consumption of these foods. 3'-AMP is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a small amount of articles have been published on 3'-AMP.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0003540
     RDKit          3D
3'-AMP
 37 39  0  0  0  0  0  0  0  0999 V2000
    5.9330   -0.1197    0.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2043   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    0.7245   -1.4601 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    1.0390   -1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    0.8442   -1.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    0.3285    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    0.0069    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -0.4727    1.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543   -0.4547    1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    0.0413    0.9248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    0.1947    0.8710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7736   -0.8671    1.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -1.2068    0.7203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6461   -2.5665    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463   -2.6008   -0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985   -0.1368   -0.3201 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7757    0.9077    0.2875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    1.3536   -0.5493 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9984    0.9813   -1.9818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    3.0138   -0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220    0.5761    0.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    0.3248   -0.5461 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5927    1.6324   -0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1264   -0.8738    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7685    0.4341   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245    1.4542   -2.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4957   -0.7971    2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834    1.1278    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -1.3035    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413   -3.2646    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -2.8910   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038   -3.2690   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.5063   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    3.5339   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    0.6831    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -0.3160   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582    2.2402   -0.1897 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
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 16 22  1  0
 22 23  1  0
  7  2  1  0
 22 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
 20 34  1  0
 21 35  1  0
 22 36  1  6
 23 37  1  0
M  END


  Mrv0541 02231219452D          

 23 25  0  0  1  0            999 V2000
   17.7715  -13.6519    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.8563  -14.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5921  -13.5671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6867  -12.8312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3436  -13.7420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8532  -16.2673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9177  -15.3666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9509  -13.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6501  -19.1330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1452  -16.8191    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1452  -18.1469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9356  -17.8955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6501  -16.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1503  -13.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4015  -16.0348    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.4038  -14.7000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.1866  -15.7813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.1881  -14.9563    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.6501  -18.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3646  -17.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3646  -17.8955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6267  -17.4830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9356  -17.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  2  0  0  0  0
 18  2  1  1  0  0  0
  5 14  1  0  0  0  0
 17  6  1  1  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 19  1  0  0  0  0
 15 10  1  6  0  0  0
 10 20  1  0  0  0  0
 10 22  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  2  0  0  0  0
 12 19  1  0  0  0  0
 12 23  2  0  0  0  0
 13 20  2  0  0  0  0
 13 23  1  0  0  0  0
 16 14  1  6  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 19 21  2  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003540

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1

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

> <INCHI_KEY>
LNQVTSROQXJCDD-KQYNXXCUSA-N

> <FORMULA>
C10H14N5O7P

> <MOLECULAR_WEIGHT>
347.2212

> <EXACT_MASS>
347.063084339

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
29.666717252157685

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-3.14

> <JCHEM_LOGP>
-4.806465728671279

> <ALOGPS_LOGS>
-2.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.964652693952025

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8697766204294437

> <JCHEM_PKA_STRONGEST_BASIC>
4.937921968407116

> <JCHEM_POLAR_SURFACE_AREA>
186.07

> <JCHEM_REFRACTIVITY>
74.0685

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.48e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adenosine-3'-phosphate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003540
     RDKit          3D
3'-AMP
 37 39  0  0  0  0  0  0  0  0999 V2000
    5.9330   -0.1197    0.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2043   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    0.7245   -1.4601 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    1.0390   -1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    0.8442   -1.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    0.3285    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    0.0069    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -0.4727    1.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543   -0.4547    1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    0.0413    0.9248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    0.1947    0.8710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7736   -0.8671    1.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -1.2068    0.7203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6461   -2.5665    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463   -2.6008   -0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985   -0.1368   -0.3201 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7757    0.9077    0.2875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    1.3536   -0.5493 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9984    0.9813   -1.9818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    3.0138   -0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220    0.5761    0.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    0.3248   -0.5461 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5927    1.6324   -0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1264   -0.8738    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7685    0.4341   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245    1.4542   -2.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4957   -0.7971    2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834    1.1278    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -1.3035    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413   -3.2646    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -2.8910   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038   -3.2690   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.5063   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    3.5339   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    0.6831    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -0.3160   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582    2.2402   -0.1897 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
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 16 22  1  0
 22 23  1  0
  7  2  1  0
 22 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
 20 34  1  0
 21 35  1  0
 22 36  1  6
 23 37  1  0
M  END

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      33.173 -25.484   0.000  0.00  0.00           P+0
HETATM    2  O   UNK     0      33.332 -27.015   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      34.705 -25.325   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      33.015 -23.952   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      28.641 -25.652   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      33.326 -30.366   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      29.713 -28.684   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      31.642 -25.642   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0      27.347 -35.715   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      30.138 -31.396   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      30.138 -33.874   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      26.013 -33.405   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0      27.347 -31.095   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      30.147 -25.974   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      30.616 -29.932   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      30.620 -27.440   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      32.082 -29.458   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      32.084 -27.918   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      27.347 -34.175   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      28.681 -31.865   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      28.681 -33.405   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      31.037 -32.635   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      26.013 -31.865   0.000  0.00  0.00           C+0
CONECT    1    2    3    4    8                                             
CONECT    2    1   18                                                       
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5   14                                                            
CONECT    6   17                                                            
CONECT    7   15   16                                                       
CONECT    8    1                                                            
CONECT    9   19                                                            
CONECT   10   15   20   22                                                  
CONECT   11   21   22                                                       
CONECT   12   19   23                                                       
CONECT   13   20   23                                                       
CONECT   14    5   16                                                       
CONECT   15    7   10   17                                                  
CONECT   16    7   14   18                                                  
CONECT   17    6   15   18                                                  
CONECT   18    2   16   17                                                  
CONECT   19    9   12   21                                                  
CONECT   20   10   13   21                                                  
CONECT   21   11   19   20                                                  
CONECT   22   10   11                                                       
CONECT   23   12   13                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   50    0
END

COMPND    HMDB0003540
HETATM    1  N1  UNL     1       5.933  -0.120   0.273  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.641   0.204  -0.227  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.481   0.724  -1.460  1.00  0.00           N  
HETATM    4  C2  UNL     1       3.251   1.039  -1.951  1.00  0.00           C  
HETATM    5  N3  UNL     1       2.132   0.844  -1.224  1.00  0.00           N  
HETATM    6  C3  UNL     1       2.233   0.329   0.011  1.00  0.00           C  
HETATM    7  C4  UNL     1       3.492   0.007   0.513  1.00  0.00           C  
HETATM    8  N4  UNL     1       3.279  -0.473   1.731  1.00  0.00           N  
HETATM    9  C5  UNL     1       1.954  -0.455   1.985  1.00  0.00           C  
HETATM   10  N5  UNL     1       1.287   0.041   0.925  1.00  0.00           N  
HETATM   11  C6  UNL     1      -0.140   0.195   0.871  1.00  0.00           C  
HETATM   12  O1  UNL     1      -0.774  -0.867   1.456  1.00  0.00           O  
HETATM   13  C7  UNL     1      -1.877  -1.207   0.720  1.00  0.00           C  
HETATM   14  C8  UNL     1      -1.646  -2.566   0.104  1.00  0.00           C  
HETATM   15  O2  UNL     1      -0.546  -2.601  -0.730  1.00  0.00           O  
HETATM   16  C9  UNL     1      -2.098  -0.137  -0.320  1.00  0.00           C  
HETATM   17  O3  UNL     1      -2.776   0.908   0.287  1.00  0.00           O  
HETATM   18  P1  UNL     1      -4.168   1.354  -0.549  1.00  0.00           P  
HETATM   19  O4  UNL     1      -3.998   0.981  -1.982  1.00  0.00           O  
HETATM   20  O5  UNL     1      -4.410   3.014  -0.335  1.00  0.00           O  
HETATM   21  O6  UNL     1      -5.522   0.576   0.145  1.00  0.00           O  
HETATM   22  C10 UNL     1      -0.660   0.325  -0.546  1.00  0.00           C  
HETATM   23  O7  UNL     1      -0.593   1.632  -0.965  1.00  0.00           O  
HETATM   24  H1  UNL     1       6.126  -0.874   0.954  1.00  0.00           H  
HETATM   25  H2  UNL     1       6.768   0.434  -0.058  1.00  0.00           H  
HETATM   26  H3  UNL     1       3.225   1.454  -2.958  1.00  0.00           H  
HETATM   27  H4  UNL     1       1.496  -0.797   2.923  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.483   1.128   1.407  1.00  0.00           H  
HETATM   29  H6  UNL     1      -2.741  -1.304   1.412  1.00  0.00           H  
HETATM   30  H7  UNL     1      -1.441  -3.265   0.949  1.00  0.00           H  
HETATM   31  H8  UNL     1      -2.588  -2.891  -0.401  1.00  0.00           H  
HETATM   32  H9  UNL     1      -0.704  -3.269  -1.451  1.00  0.00           H  
HETATM   33  H10 UNL     1      -2.566  -0.506  -1.238  1.00  0.00           H  
HETATM   34  H11 UNL     1      -4.285   3.534  -1.158  1.00  0.00           H  
HETATM   35  H12 UNL     1      -5.500   0.683   1.116  1.00  0.00           H  
HETATM   36  H13 UNL     1      -0.125  -0.316  -1.261  1.00  0.00           H  
HETATM   37  H14 UNL     1      -0.658   2.240  -0.190  1.00  0.00           H  
CONECT    1    2   24   25
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   26
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   27
CONECT   10   11
CONECT   11   12   22   28
CONECT   12   13
CONECT   13   14   16   29
CONECT   14   15   30   31
CONECT   15   32
CONECT   16   17   22   33
CONECT   17   18
CONECT   18   19   19   20   21
CONECT   20   34
CONECT   21   35
CONECT   22   23   36
CONECT   23   37
END

HMDB0003540
     RDKit          3D
3'-AMP
 37 39  0  0  0  0  0  0  0  0999 V2000
    5.9330   -0.1197    0.2734 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2043   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810    0.7245   -1.4601 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2511    1.0390   -1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1322    0.8442   -1.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2333    0.3285    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    0.0069    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -0.4727    1.7310 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9543   -0.4547    1.9849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2866    0.0413    0.9248 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1396    0.1947    0.8710 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7736   -0.8671    1.4561 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8774   -1.2068    0.7203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6461   -2.5665    0.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5463   -2.6008   -0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0985   -0.1368   -0.3201 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7757    0.9077    0.2875 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1678    1.3536   -0.5493 P   0  0  0  0  0  5  0  0  0  0  0  0
   -3.9984    0.9813   -1.9818 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4103    3.0138   -0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5220    0.5761    0.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    0.3248   -0.5461 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5927    1.6324   -0.9653 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1264   -0.8738    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7685    0.4341   -0.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2245    1.4542   -2.9582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4957   -0.7971    2.9232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4834    1.1278    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7406   -1.3035    1.4124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4413   -3.2646    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5879   -2.8910   -0.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7038   -3.2690   -1.4514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -0.5063   -1.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    3.5339   -1.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5000    0.6831    1.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1248   -0.3160   -1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6582    2.2402   -0.1897 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
 17 18  1  0
 18 19  2  0
 18 20  1  0
 18 21  1  0
 16 22  1  0
 22 23  1  0
  7  2  1  0
 22 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
 20 34  1  0
 21 35  1  0
 22 36  1  6
 23 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3'-Adenosine monophosphate	ChEBI
3'-Adenylic acid	ChEBI
Adenosine 3'-monophosphate	ChEBI
Adenosine 3'-phosphate	ChEBI
Adenosine-3'-monophosphate	ChEBI
AMP 3'-Phosphate	ChEBI
Synadenylic acid	ChEBI
3'-Adenosine monophosphoric acid	Generator
3'-Adenylate	Generator
Adenosine 3'-monophosphoric acid	Generator
Adenosine 3'-phosphoric acid	Generator
Adenosine-3'-monophosphoric acid	Generator
AMP 3'-Phosphoric acid	Generator
Synadenylate	Generator
Adenosine-3'-phosphate	HMDB
Yeast adenylic acid	HMDB
2' Adenylic acid	MeSH, HMDB
5' Adenylic acid	MeSH, HMDB
Phosphate dipotassium, adenosine	MeSH, HMDB
5'-Adenylic acid	MeSH, HMDB
Adenylic acid	MeSH, HMDB
5'-Phosphate, adenosine	MeSH, HMDB
Adenosine 2'-phosphate	MeSH, HMDB
Dipotassium, adenosine phosphate	MeSH, HMDB
Phosphate disodium, adenosine	MeSH, HMDB
Monophosphate, 2'-adenosine	MeSH, HMDB
2'-AMP	MeSH, HMDB
2'-Adenosine monophosphate	MeSH, HMDB
Adenosine 2' phosphate	MeSH, HMDB
Adenosine phosphate dipotassium	MeSH, HMDB
Adenosine 3' phosphate	MeSH, HMDB
Disodium, adenosine phosphate	MeSH, HMDB
Phosphaden	MeSH, HMDB
2'-Adenylic acid	MeSH, HMDB
AMP	MeSH, HMDB
Adenosine monophosphate	MeSH, HMDB
Adenosine phosphate disodium	MeSH, HMDB
2' Adenosine monophosphate	MeSH, HMDB
Acid, 2'-adenylic	MeSH, HMDB
Acid, 5'-adenylic	MeSH, HMDB
Adenosine 5' phosphate	MeSH, HMDB
Adenosine 5'-phosphate	MeSH, HMDB

Chemical Formula

C₁₀H₁₄N₅O₇P

Average Molecular Weight

347.2212

Monoisotopic Molecular Weight

347.063084339

IUPAC Name

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

Traditional Name

adenosine-3'-phosphate

CAS Registry Number

84-21-9

SMILES

NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1

InChI Identifier

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

InChI Key

LNQVTSROQXJCDD-KQYNXXCUSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ribonucleoside 3'-phosphates. These are ribonucleosides that contain a phosphate group attached to the C-3 carbon of the ribose or deoxyribose moiety. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Ribonucleoside 3'-phosphates

Sub Class

Not Available

Direct Parent

Ribonucleoside 3'-phosphates

Alternative Parents

Substituents

Pentose phosphate
Ribonucleoside 3'-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Pentose monosaccharide
Monosaccharide phosphate
Purine
Imidazopyrimidine
Aminopyrimidine
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
N-substituted imidazole
Monosaccharide
Pyrimidine
Imidolactam
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
Azole
Imidazole
Secondary alcohol
Oxacycle
Azacycle
Organoheterocyclic compound
Primary amine
Amine
Alcohol
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Primary alcohol
Organooxygen compound
Organonitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

purine ribonucleoside 3'-monophosphate (CHEBI:28931 )
adenosine 3'-phosphate (CHEBI:28931 )

Ontology

Not Available

Non-excretory biofluid

Saliva (HMDB: HMDB0003540)

Saliva (HMDB: HMDB0003540)

Organ

Placenta (HMDB: HMDB0003540)

Source

Endogenous

Endogenous (HMDB: HMDB0003540)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Naturally occurring process

Biological process

Biochemical pathway

bile acid biosynthesis (HMDB: HMDB0003540)

Metabolic pathway

Bile Acid Biosynthesis (PathBank: SMP0000035)
Pyrimidine Metabolism (PathBank: SMP0000046)

Disease pathway

beta-Ureidopropionase Deficiency (PathBank: SMP0000172)
UMP Synthase Deficiency (Orotic Aciduria) (PathBank: SMP0000219)
Dihydropyrimidinase Deficiency (PathBank: SMP0000178)
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy) (PathBank: SMP0000202)
Congenital Bile Acid Synthesis Defect Type II (PathBank: SMP0000314)
Congenital Bile Acid Synthesis Defect Type III (PathBank: SMP0000318)
Familial Hypercholanemia (FHCA) (PathBank: SMP0000317)
Zellweger Syndrome (PathBank: SMP0000316)
Cerebrotendinous Xanthomatosis (CTX) (PathBank: SMP0000315)
27-Hydroxylase Deficiency (PathBank: SMP0000720)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	197 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	500 mg/L at 15 °C	Not Available
LogP	-1.453	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Not Available	171.182	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000135

Predicted Molecular Properties

Property	Value	Source
Water Solubility	3.48 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-4.8	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	0.87	ChemAxon
pKa (Strongest Basic)	4.94	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	29.67 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	177.443	31661259
DarkChem	[M-H]-	170.96	31661259
DeepCCS	[M+H]+	168.739	30932474
DeepCCS	[M-H]-	166.344	30932474
DeepCCS	[M-2H]-	200.067	30932474
DeepCCS	[M+Na]+	174.97	30932474
AllCCS	[M+H]+	175.1	32859911
AllCCS	[M+H-H2O]+	172.2	32859911
AllCCS	[M+NH4]+	177.8	32859911
AllCCS	[M+Na]+	178.6	32859911
AllCCS	[M-H]-	169.6	32859911
AllCCS	[M+Na-2H]-	169.2	32859911
AllCCS	[M+HCOO]-	168.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
3'-AMP	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1	3644.8	Standard polar	33892256
3'-AMP	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1	2380.3	Standard non polar	33892256
3'-AMP	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1	3235.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
3'-AMP,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	3111.3	Semi standard non polar	33892256
3'-AMP,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3085.2	Semi standard non polar	33892256
3'-AMP,1TMS,isomer #3	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3131.9	Semi standard non polar	33892256
3'-AMP,1TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O	3135.7	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3006.2	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3055.1	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O	3058.6	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3037.4	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	3041.9	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #6	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C	3063.5	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3104.3	Semi standard non polar	33892256
3'-AMP,2TMS,isomer #8	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O)[Si](C)(C)C	3114.7	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2989.4	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	2985.4	Standard non polar	33892256
3'-AMP,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4830.7	Standard polar	33892256
3'-AMP,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3082.9	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3127.9	Standard non polar	33892256
3'-AMP,3TMS,isomer #10	C[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4421.3	Standard polar	33892256
3'-AMP,3TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	3000.3	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	3066.4	Standard non polar	33892256
3'-AMP,3TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C	4937.3	Standard polar	33892256
3'-AMP,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3016.8	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3031.5	Standard non polar	33892256
3'-AMP,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4672.2	Standard polar	33892256
3'-AMP,3TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3043.0	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	3085.9	Standard non polar	33892256
3'-AMP,3TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O	4685.0	Standard polar	33892256
3'-AMP,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	3025.9	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	3168.9	Standard non polar	33892256
3'-AMP,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	4724.8	Standard polar	33892256
3'-AMP,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3010.0	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3006.7	Standard non polar	33892256
3'-AMP,3TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	4660.8	Standard polar	33892256
3'-AMP,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3036.5	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3086.6	Standard non polar	33892256
3'-AMP,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4657.9	Standard polar	33892256
3'-AMP,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3034.8	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3150.3	Standard non polar	33892256
3'-AMP,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4692.1	Standard polar	33892256
3'-AMP,3TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3063.0	Semi standard non polar	33892256
3'-AMP,3TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3123.0	Standard non polar	33892256
3'-AMP,3TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	4446.4	Standard polar	33892256
3'-AMP,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3007.4	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2971.4	Standard non polar	33892256
3'-AMP,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	4531.1	Standard polar	33892256
3'-AMP,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3029.7	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3050.8	Standard non polar	33892256
3'-AMP,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4431.0	Standard polar	33892256
3'-AMP,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3008.0	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	3128.8	Standard non polar	33892256
3'-AMP,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O	4385.9	Standard polar	33892256
3'-AMP,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3053.2	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	3066.8	Standard non polar	33892256
3'-AMP,4TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O	4243.0	Standard polar	33892256
3'-AMP,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3047.0	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3107.6	Standard non polar	33892256
3'-AMP,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C	4186.4	Standard polar	33892256
3'-AMP,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3052.5	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3076.5	Standard non polar	33892256
3'-AMP,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4223.3	Standard polar	33892256
3'-AMP,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3053.4	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3108.4	Standard non polar	33892256
3'-AMP,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4165.0	Standard polar	33892256
3'-AMP,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C	3078.6	Semi standard non polar	33892256
3'-AMP,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C	3121.7	Standard non polar	33892256
3'-AMP,4TMS,isomer #8	C[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C	3962.8	Standard polar	33892256
3'-AMP,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3069.0	Semi standard non polar	33892256
3'-AMP,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3023.2	Standard non polar	33892256
3'-AMP,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4045.1	Standard polar	33892256
3'-AMP,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3062.2	Semi standard non polar	33892256
3'-AMP,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3047.8	Standard non polar	33892256
3'-AMP,5TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C	3919.6	Standard polar	33892256
3'-AMP,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3083.8	Semi standard non polar	33892256
3'-AMP,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3054.5	Standard non polar	33892256
3'-AMP,5TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3779.3	Standard polar	33892256
3'-AMP,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3087.2	Semi standard non polar	33892256
3'-AMP,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3063.1	Standard non polar	33892256
3'-AMP,5TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3759.0	Standard polar	33892256
3'-AMP,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3114.5	Semi standard non polar	33892256
3'-AMP,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2993.4	Standard non polar	33892256
3'-AMP,6TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	3626.6	Standard polar	33892256
3'-AMP,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	3361.7	Semi standard non polar	33892256
3'-AMP,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3339.5	Semi standard non polar	33892256
3'-AMP,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3357.8	Semi standard non polar	33892256
3'-AMP,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O	3359.1	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3485.1	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3501.7	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O	3464.7	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3478.7	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3448.6	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3493.4	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3492.6	Semi standard non polar	33892256
3'-AMP,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O)[Si](C)(C)C(C)(C)C	3513.0	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3594.5	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3529.2	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	4925.9	Standard polar	33892256
3'-AMP,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	3638.2	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	3696.3	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OP(=O)(O)O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O	4496.6	Standard polar	33892256
3'-AMP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3577.2	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	3657.7	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O)[C@H]1O[Si](C)(C)C(C)(C)C	4931.3	Standard polar	33892256
3'-AMP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3616.0	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3520.3	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4777.6	Standard polar	33892256
3'-AMP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3620.7	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	3638.7	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O	4762.3	Standard polar	33892256
3'-AMP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	3605.0	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	3742.6	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O	4697.6	Standard polar	33892256
3'-AMP,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3584.6	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	3508.7	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N)N=CN=C21	4767.7	Standard polar	33892256
3'-AMP,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3602.9	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3634.2	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4734.1	Standard polar	33892256
3'-AMP,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	3612.3	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	3734.4	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4671.1	Standard polar	33892256
3'-AMP,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3633.1	Semi standard non polar	33892256
3'-AMP,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3616.1	Standard non polar	33892256
3'-AMP,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	4577.8	Standard polar	33892256
3'-AMP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3738.4	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3590.5	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4670.5	Standard polar	33892256
3'-AMP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3745.3	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3754.5	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4564.8	Standard polar	33892256
3'-AMP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3720.6	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	3848.4	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OP(=O)(O)O	4415.7	Standard polar	33892256
3'-AMP,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3771.7	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	3715.2	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O	4445.7	Standard polar	33892256
3'-AMP,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3755.4	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	3812.2	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@H](O)[C@@H]1OP(=O)(O)O[Si](C)(C)C(C)(C)C	4290.2	Standard polar	33892256
3'-AMP,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3756.0	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3731.5	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4421.3	Standard polar	33892256
3'-AMP,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	3749.9	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	3823.5	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](OP(=O)(O)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4268.4	Standard polar	33892256
3'-AMP,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3770.5	Semi standard non polar	33892256
3'-AMP,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C	3786.4	Standard non polar	33892256
3'-AMP,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[C@@H]1[C@@H](CO)O[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4164.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - 3'-AMP GC-EI-TOF (Non-derivatized)	splash10-0kuv-0973000000-eb7c71515eea7eb1a837	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - 3'-AMP GC-EI-TOF (Non-derivatized)	splash10-0kuv-0973000000-eb7c71515eea7eb1a837	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-AMP GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9511000000-80f5030da41a88c5adf7	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-AMP GC-MS (2 TMS) - 70eV, Positive	splash10-03xr-7973700000-7630afa3708fa5e5ab9e	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 3'-AMP GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP LC-ESI-ITFT , negative-QTOF	splash10-03di-2093000000-f9389aa723f687dcb780	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP LC-ESI-QTOF , negative-QTOF	splash10-01u1-9463000000-deedf4a3a159267bf008	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP LC-ESI-ITFT , positive-QTOF	splash10-000i-1900000000-3070b457af9f8caf95ae	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP LC-ESI-QTOF , positive-QTOF	splash10-000i-0901000000-01666f7ac8779350ae53	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP 50V, Negative-QTOF	splash10-03di-2093000000-e566bf05f29e5c2f202b	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP 50V, Positive-QTOF	splash10-000i-1900000000-796d8e13194f52dee246	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP 35V, Positive-QTOF	splash10-000i-0900000000-02e4343bf1e5fbc63510	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - 3'-AMP 35V, Negative-QTOF	splash10-0002-0009000000-38164510e452a6ab6012	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 10V, Positive-QTOF	splash10-000i-2913000000-583726ba8cf3132ced34	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 20V, Positive-QTOF	splash10-000i-0900000000-3743b8381504a528e937	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 40V, Positive-QTOF	splash10-000i-3900000000-674aca6f0bee774491a7	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 10V, Negative-QTOF	splash10-0032-4709000000-0e304c018489ee824b4e	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 20V, Negative-QTOF	splash10-001i-3900000000-28c48abec776120de260	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 40V, Negative-QTOF	splash10-004i-9500000000-64e6e28bb636afabd554	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 10V, Negative-QTOF	splash10-0002-0009000000-f5a4678a70e90bab759b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 20V, Negative-QTOF	splash10-001i-1921000000-253481bcb5e35615598c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 40V, Negative-QTOF	splash10-003r-8900000000-3b498c0da7159391cb24	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 10V, Positive-QTOF	splash10-0002-0009000000-97735d217b8d45d68457	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 20V, Positive-QTOF	splash10-000i-0921000000-e877995fe049396ac137	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 3'-AMP 40V, Positive-QTOF	splash10-000i-0900000000-fc6f39d328b9fab00fc1	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Saliva

Tissue Locations

Placenta

Pathways

Name	SMPDB/PathBank	KEGG
Pyrimidine metabolism	Not Available
Beta Ureidopropionase Deficiency		Not Available
UMP Synthase Deficiency (Orotic Aciduria)		Not Available
Dihydropyrimidinase Deficiency		Not Available
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Saliva	Detected and Quantified	0.137 +/- 0.204 uM	Adult (>18 years old)	Both	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.269 +/- 0.162 uM	Adult (>18 years old)	Both	Normal	Sugimoto et al. (...	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

2224997

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

41211

PDB ID

Not Available

ChEBI ID

28931

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Jackson EK, Ren J, Gillespie DG: 2',3'-cAMP, 3'-AMP, and 2'-AMP inhibit human aortic and coronary vascular smooth muscle cell proliferation via A2B receptors. Am J Physiol Heart Circ Physiol. 2011 Aug;301(2):H391-401. doi: 10.1152/ajpheart.00336.2011. Epub 2011 May 27. [PubMed:21622827 ]
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 ]

Showing metabocard for 3'-AMP (HMDB0003540)

MOL for HMDB0003540 (3'-AMP)

3D MOL for HMDB0003540 (3'-AMP)

3D SDF for HMDB0003540 (3'-AMP)

3D-SDF for HMDB0003540 (3'-AMP)

PDB for HMDB0003540 (3'-AMP)

3D PDB for HMDB0003540 (3'-AMP)

SMILES for HMDB0003540 (3'-AMP)

INCHI for HMDB0003540 (3'-AMP)

Structure for HMDB0003540 (3'-AMP)

3D Structure for HMDB0003540 (3'-AMP)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra