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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2008-10-16 22:32:30 UTC

Update Date

2021-09-14 15:19:50 UTC

HMDB ID

HMDB0011117

Secondary Accession Numbers

HMDB11117

Metabolite Identification

Common Name

Se-Adenosylselenohomocysteine

Description

Se-Adenosylselenohomocysteine belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives. Se-Adenosylselenohomocysteine is a very strong basic compound (based on its pKa). Within humans, se-adenosylselenohomocysteine participates in a number of enzymatic reactions. In particular, se-adenosylselenohomocysteine can be converted into selenohomocysteine and adenosine through its interaction with the enzyme adenosylhomocysteinase. In addition, se-adenosylselenohomocysteine can be biosynthesized from se-adenosylselenomethionine; which is mediated by the enzyme methyltransferase-like protein 6. In humans, se-adenosylselenohomocysteine is involved in selenoamino acid metabolism.

Structure

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

  Mrv0541 02241201192D          

 26 28  0  0  1  0            999 V2000
    1.8378   -0.0274    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.6195    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3544    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293   -0.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8412    1.3028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0274   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    1.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    2.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143   -1.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -0.4423    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224    0.7955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487   -0.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -1.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
M  END

HMDB0011117
     RDKit          3D
Se-Adenosylselenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4293   -0.1138   -2.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.4937   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    1.7763   -0.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882    2.2994   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    1.5456    0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    0.2408   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -0.3021   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0255   -1.5964   -1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -1.7982   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4691   -0.6790    0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -0.4107    1.0121 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4747    0.5511    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    0.2107    0.8203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6368    1.3561    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.6944    1.7325 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.4608    0.5632    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.0435    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7081   -0.2207   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9378   -0.8195   -0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0326    1.0289   -1.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    1.7426   -2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3683    1.4807   -1.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.9499    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8881   -1.7517    1.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.6467    1.2817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1123   -2.2856    0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.4860   -2.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721   -1.1092   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227    3.3464    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -2.7405   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -0.0956    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -0.1969   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    1.7560    2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    2.1425    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.5599   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -0.0691   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6818   -1.0209    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3101    0.6256    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242   -0.9089   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6329   -1.0052   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986   -0.1019    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5806    2.2402   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.5527    2.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.7632    2.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218   -2.3208    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879   -1.6373   -0.6757 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
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  7  2  1  0
 25 11  1  0
 10  6  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  9 30  1  0
 11 31  1  1
 13 32  1  6
 14 33  1  0
 14 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
 22 42  1  0
 23 43  1  1
 24 44  1  0
 25 45  1  1
 26 46  1  0
M  END

  Mrv0541 02241201192D          

 26 28  0  0  1  0            999 V2000
    1.8378   -0.0274    0.0000 N   0  0  1  0  0  0  0  0  0  0  0  0
    2.6195    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0526   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3544    0.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6229    1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293   -0.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3840    0.1989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7955   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8412    1.3028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3293    1.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    0.2228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2881   -0.2881    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0274   -1.0732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2652   -1.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0390    1.0492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3258    2.2869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0698   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143   -1.7384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -0.4423    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4960   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2092   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224   -0.0274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -0.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224    0.7955    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3487   -0.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6321   -1.2686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  3  1  1  6  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  2  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0011117

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1

> <INCHI_KEY>
UVSMMLABJBJNGH-WWJIDFMMSA-N

> <FORMULA>
C14H20N6O5Se

> <MOLECULAR_WEIGHT>
431.31

> <EXACT_MASS>
432.066039608

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
36.905167642975385

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-4-({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid

> <ALOGPS_LOGP>
-2.54

> <JCHEM_LOGP>
-5.3131766740298945

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.472280052715373

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3131055876641091

> <JCHEM_PKA_STRONGEST_BASIC>
9.501861401195526

> <JCHEM_POLAR_SURFACE_AREA>
182.63

> <JCHEM_REFRACTIVITY>
98.04489999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
se-adenosylselenohomocysteine

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0011117
     RDKit          3D
Se-Adenosylselenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4293   -0.1138   -2.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.4937   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    1.7763   -0.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882    2.2994   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    1.5456    0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    0.2408   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -0.3021   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0255   -1.5964   -1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -1.7982   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4691   -0.6790    0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -0.4107    1.0121 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4747    0.5511    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    0.2107    0.8203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6368    1.3561    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.6944    1.7325 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.4608    0.5632    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.0435    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7081   -0.2207   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9378   -0.8195   -0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0326    1.0289   -1.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    1.7426   -2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3683    1.4807   -1.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.9499    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8881   -1.7517    1.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.6467    1.2817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1123   -2.2856    0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.4860   -2.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721   -1.1092   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227    3.3464    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -2.7405   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -0.0956    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -0.1969   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    1.7560    2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    2.1425    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.5599   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -0.0691   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6818   -1.0209    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3101    0.6256    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242   -0.9089   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6329   -1.0052   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986   -0.1019    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5806    2.2402   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.5527    2.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.7632    2.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218   -2.3208    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879   -1.6373   -0.6757 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
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  7  2  1  0
 25 11  1  0
 10  6  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  9 30  1  0
 11 31  1  1
 13 32  1  6
 14 33  1  0
 14 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
 22 42  1  0
 23 43  1  1
 24 44  1  0
 25 45  1  1
 26 46  1  0
M  END

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  N   UNK     0       3.431  -0.051   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.890   0.416   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.965  -0.538   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.528   1.197   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.896   1.959   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       6.215  -0.346   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0       0.717   0.371   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.485  -2.003   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       3.437   2.432   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       6.215   2.733   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.539   0.416   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.538  -0.538   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.051  -2.003   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.362  -3.456   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       7.539   1.959   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       6.208   4.269   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      -1.997  -0.051   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.960  -3.245   0.000  0.00  0.00           O+0
HETATM   19 Se   UNK     0      -3.328  -0.826   0.000  0.00  0.00          Se+0
HETATM   20  C   UNK     0      -4.659  -0.051   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.991  -0.826   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.322  -0.051   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -8.647  -0.826   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      -7.322   1.485   0.000  0.00  0.00           N+0
HETATM   25  O   UNK     0      -9.984  -0.051   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.647  -2.368   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10    9                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3   13   14                                                  
CONECT    9    4    5                                                       
CONECT   10    5   15   16                                                  
CONECT   11    6   15                                                       
CONECT   12    7   17   13                                                  
CONECT   13    8   18   12                                                  
CONECT   14    8                                                            
CONECT   15   10   11                                                       
CONECT   16   10                                                            
CONECT   17   12   19                                                       
CONECT   18   13                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22   25   26                                                  
CONECT   24   22                                                            
CONECT   25   23                                                            
CONECT   26   23                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

COMPND    HMDB0011117
HETATM    1  N1  UNL     1       7.429  -0.114  -2.089  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.435   0.494  -1.263  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.556   1.776  -0.912  1.00  0.00           N  
HETATM    4  C2  UNL     1       5.588   2.299  -0.130  1.00  0.00           C  
HETATM    5  N3  UNL     1       4.549   1.546   0.270  1.00  0.00           N  
HETATM    6  C3  UNL     1       4.410   0.241  -0.079  1.00  0.00           C  
HETATM    7  C4  UNL     1       5.379  -0.302  -0.867  1.00  0.00           C  
HETATM    8  N4  UNL     1       5.025  -1.596  -1.077  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.873  -1.798  -0.421  1.00  0.00           C  
HETATM   10  N5  UNL     1       3.469  -0.679   0.205  1.00  0.00           N  
HETATM   11  C6  UNL     1       2.324  -0.411   1.012  1.00  0.00           C  
HETATM   12  O1  UNL     1       1.475   0.551   0.529  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.181   0.211   0.820  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.637   1.356   1.380  1.00  0.00           C  
HETATM   15 SE1  UNL     1      -2.432   0.694   1.732  1.00  0.00          SE  
HETATM   16  C9  UNL     1      -3.461   0.563   0.087  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.793  -0.044   0.456  1.00  0.00           C  
HETATM   18  C11 UNL     1      -5.708  -0.221  -0.720  1.00  0.00           C  
HETATM   19  N6  UNL     1      -6.938  -0.819  -0.176  1.00  0.00           N  
HETATM   20  C12 UNL     1      -6.033   1.029  -1.424  1.00  0.00           C  
HETATM   21  O2  UNL     1      -5.198   1.743  -2.036  1.00  0.00           O  
HETATM   22  O3  UNL     1      -7.368   1.481  -1.426  1.00  0.00           O  
HETATM   23  C13 UNL     1       0.219  -0.950   1.809  1.00  0.00           C  
HETATM   24  O4  UNL     1      -0.888  -1.752   1.714  1.00  0.00           O  
HETATM   25  C14 UNL     1       1.486  -1.647   1.282  1.00  0.00           C  
HETATM   26  O5  UNL     1       1.112  -2.286   0.088  1.00  0.00           O  
HETATM   27  H1  UNL     1       7.861   0.486  -2.828  1.00  0.00           H  
HETATM   28  H2  UNL     1       7.672  -1.109  -1.918  1.00  0.00           H  
HETATM   29  H3  UNL     1       5.623   3.346   0.197  1.00  0.00           H  
HETATM   30  H4  UNL     1       3.347  -2.741  -0.405  1.00  0.00           H  
HETATM   31  H5  UNL     1       2.709  -0.096   2.027  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.283  -0.197  -0.100  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.180   1.756   2.305  1.00  0.00           H  
HETATM   34  H8  UNL     1      -0.730   2.142   0.608  1.00  0.00           H  
HETATM   35  H9  UNL     1      -3.624   1.560  -0.369  1.00  0.00           H  
HETATM   36  H10 UNL     1      -2.918  -0.069  -0.624  1.00  0.00           H  
HETATM   37  H11 UNL     1      -4.682  -1.021   0.957  1.00  0.00           H  
HETATM   38  H12 UNL     1      -5.310   0.626   1.203  1.00  0.00           H  
HETATM   39  H13 UNL     1      -5.224  -0.909  -1.441  1.00  0.00           H  
HETATM   40  H14 UNL     1      -7.633  -1.005  -0.932  1.00  0.00           H  
HETATM   41  H15 UNL     1      -7.299  -0.102   0.507  1.00  0.00           H  
HETATM   42  H16 UNL     1      -7.581   2.240  -0.763  1.00  0.00           H  
HETATM   43  H17 UNL     1       0.414  -0.553   2.815  1.00  0.00           H  
HETATM   44  H18 UNL     1      -1.327  -1.763   2.622  1.00  0.00           H  
HETATM   45  H19 UNL     1       1.922  -2.321   2.016  1.00  0.00           H  
HETATM   46  H20 UNL     1       1.188  -1.637  -0.676  1.00  0.00           H  
CONECT    1    2   27   28
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   29
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   30
CONECT   10   11
CONECT   11   12   25   31
CONECT   12   13
CONECT   13   14   23   32
CONECT   14   15   33   34
CONECT   15   16
CONECT   16   17   35   36
CONECT   17   18   37   38
CONECT   18   19   20   39
CONECT   19   40   41
CONECT   20   21   21   22
CONECT   22   42
CONECT   23   24   25   43
CONECT   24   44
CONECT   25   26   45
CONECT   26   46
END

HMDB0011117
     RDKit          3D
Se-Adenosylselenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.4293   -0.1138   -2.0892 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.4937   -1.2633 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5565    1.7763   -0.9119 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5882    2.2994   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488    1.5456    0.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    0.2408   -0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3794   -0.3021   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0255   -1.5964   -1.0768 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8727   -1.7982   -0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4691   -0.6790    0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3242   -0.4107    1.0121 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4747    0.5511    0.5287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1808    0.2107    0.8203 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6368    1.3561    1.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    0.6944    1.7325 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.4608    0.5632    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.0435    0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7081   -0.2207   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9378   -0.8195   -0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0326    1.0289   -1.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1983    1.7426   -2.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3683    1.4807   -1.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2195   -0.9499    1.8086 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8881   -1.7517    1.7144 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860   -1.6467    1.2817 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1123   -2.2856    0.0878 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8608    0.4860   -2.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6721   -1.1092   -1.9177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6227    3.3464    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3468   -2.7405   -0.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7085   -0.0956    2.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2835   -0.1969   -0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1803    1.7560    2.3055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7300    2.1425    0.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.5599   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9180   -0.0691   -0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6818   -1.0209    0.9565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3101    0.6256    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2242   -0.9089   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6329   -1.0052   -0.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2986   -0.1019    0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5806    2.2402   -0.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4145   -0.5527    2.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3273   -1.7632    2.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9218   -2.3208    2.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1879   -1.6373   -0.6757 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
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
  7  2  1  0
 25 11  1  0
 10  6  1  0
  1 27  1  0
  1 28  1  0
  4 29  1  0
  9 30  1  0
 11 31  1  1
 13 32  1  6
 14 33  1  0
 14 34  1  0
 16 35  1  0
 16 36  1  0
 17 37  1  0
 17 38  1  0
 18 39  1  0
 19 40  1  0
 19 41  1  0
 22 42  1  0
 23 43  1  1
 24 44  1  0
 25 45  1  1
 26 46  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₄H₂₀N₆O₅Se

Average Molecular Weight

431.31

Monoisotopic Molecular Weight

432.066039608

IUPAC Name

2-amino-4-({[(2S,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}selanyl)butanoic acid

Traditional Name

se-adenosylselenohomocysteine

CAS Registry Number

Not Available

SMILES

NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O

InChI Identifier

InChI=1S/C14H20N6O5Se/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6?,7-,9-,10-,13+/m1/s1

InChI Key

UVSMMLABJBJNGH-WWJIDFMMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 5'-deoxyribonucleosides. These are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom. The nucleobases here are limited to purine, pyrimidine, and pyridine derivatives.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

5'-deoxyribonucleosides

Sub Class

Not Available

Direct Parent

5'-deoxyribonucleosides

Alternative Parents

Substituents

5'-deoxyribonucleoside
N-glycosyl compound
Glycosyl compound
Pentose monosaccharide
6-aminopurine
Alpha-amino acid or derivatives
Alpha-amino acid
Purine
Imidazopyrimidine
Aminopyrimidine
Monosaccharide
N-substituted imidazole
Imidolactam
Pyrimidine
Heteroaromatic compound
Tetrahydrofuran
Azole
Imidazole
1,2-diol
Amino acid
Amino acid or derivatives
Secondary alcohol
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Selenoether
Oxacycle
Organic nitrogen compound
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Carbonyl group
Organoselenium compound
Primary amine
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Alcohol
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Endogenous (HMDB: HMDB0011117)

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

Metabolic pathway

Selenoamino Acid Metabolism (PathBank: SMP0063587)
Selenoamino Acid Metabolism (HMDB: HMDB0011117)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular 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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	8.42 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-5.3	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.31	ChemAxon
pKa (Strongest Basic)	9.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	182.63 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	98.04 m³·mol⁻¹	ChemAxon
Polarizability	36.91 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	215.132	30932474
DeepCCS	[M+Na]+	190.296	30932474
AllCCS	[M+H]+	188.3	32859911
AllCCS	[M+H-H2O]+	186.2	32859911
AllCCS	[M+NH4]+	190.2	32859911
AllCCS	[M+Na]+	190.8	32859911
AllCCS	[M-H]-	180.8	32859911
AllCCS	[M+Na-2H]-	180.8	32859911
AllCCS	[M+HCOO]-	181.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Se-Adenosylselenohomocysteine	NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	4021.0	Standard polar	33892256
Se-Adenosylselenohomocysteine	NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	3484.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine	NC(CC[Se]C[C@H]1O[C@@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12)C(O)=O	3985.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Se-Adenosylselenohomocysteine,1TMS,isomer #1	C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O	3579.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3591.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3495.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #4	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O	3615.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O	3610.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	3408.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O	3567.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #11	C[Si](C)(C)N(C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O)[Si](C)(C)C	3611.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	3529.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3448.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3515.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #4	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O	3503.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C	3409.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #6	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O	3500.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3521.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #8	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C	3466.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3461.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3338.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3406.5	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3473.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3525.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3444.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3469.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #15	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3526.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #16	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	3425.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #17	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	3495.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	3611.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #2	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C	3388.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3407.5	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #4	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O	3381.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3431.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3474.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #7	C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O	3449.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3519.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3393.5	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #1	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3344.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #1	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3219.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #1	C[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	5069.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3517.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3423.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5066.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3415.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3280.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4898.4	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3494.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3319.5	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	5124.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C	3402.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C	3264.1	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C	4901.3	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #14	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O	3432.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #14	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O	3346.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #14	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O	4650.5	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3525.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3415.9	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5025.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #16	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C	3432.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #16	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C	3287.6	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #16	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C	4659.3	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	3563.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	3372.5	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	5059.1	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #18	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3589.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #18	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3439.9	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #18	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	4820.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3388.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3240.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5217.8	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3420.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3286.5	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4945.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3484.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C	3325.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #4	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)N([Si](C)(C)C)[Si](C)(C)C	5148.4	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	3410.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	3266.7	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	4929.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3415.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3335.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4987.2	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3427.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3361.9	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	5162.2	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3399.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3315.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	5074.7	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	3434.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	3352.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	4697.4	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3418.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3291.6	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4565.4	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3549.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3366.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4635.8	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3574.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	3415.9	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4390.7	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O)N([Si](C)(C)C)[Si](C)(C)C	3581.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O)N([Si](C)(C)C)[Si](C)(C)C	3375.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O)N([Si](C)(C)C)[Si](C)(C)C	4425.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3463.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3305.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #2	C[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4929.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C	3414.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C	3232.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C	4680.4	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #4	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C	3431.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #4	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C	3267.5	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #4	C[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C	4273.9	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3542.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3369.7	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4678.7	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #6	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O	3413.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #6	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O	3325.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #6	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O	4318.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3493.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3413.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4692.1	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3567.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	3418.1	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #8	C[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@H]1O	4433.2	Standard polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3425.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3267.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,5TMS,isomer #9	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	4228.2	Standard polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #1	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3458.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #1	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3262.1	Standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #1	C[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C)C(=O)O[Si](C)(C)C	3978.8	Standard polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3556.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3372.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4383.1	Standard polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O)N([Si](C)(C)C)[Si](C)(C)C	3601.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O)N([Si](C)(C)C)[Si](C)(C)C	3344.0	Standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #3	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O)N([Si](C)(C)C)[Si](C)(C)C	4107.8	Standard polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3568.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	3385.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	4125.7	Standard polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3607.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	3343.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,6TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC[Se]C[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]1O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C	4062.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O	3804.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3809.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3759.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O	3847.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O	3825.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	3913.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O	4012.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N(C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O)[Si](C)(C)C(C)(C)C	4064.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3941.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3928.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3948.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O	3972.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	3914.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	3966.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3942.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	3934.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3921.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4033.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4042.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4097.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	4216.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)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	4080.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4069.5	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4174.0	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	4029.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	4118.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4236.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)C(=O)O[Si](C)(C)C(C)(C)C	4044.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4050.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O	4058.7	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4072.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4100.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C32)O[C@H](C[Se]CCC(N)C(=O)O)[C@H]1O	4083.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](N2C=NC3=C(N)N=CN=C32)O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H]1O	4206.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4040.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	4137.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	3902.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NC(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	5054.3	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4347.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4092.7	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4981.2	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4183.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4004.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4848.8	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4305.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3987.5	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5067.1	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C(C)(C)C	4179.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C(C)(C)C	4007.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O[Si](C)(C)C(C)(C)C	4852.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C(C)(C)C)C(=O)O	4233.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C(C)(C)C)C(=O)O	4067.7	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O[Si](C)(C)C(C)(C)C)C(=O)O	4654.3	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4357.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4087.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4947.7	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C(C)(C)C	4179.4	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C(C)(C)C	4033.9	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O[Si](C)(C)C(C)(C)C	4646.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4323.1	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4072.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4970.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4392.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4129.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4758.0	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4187.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	3972.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	5127.5	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4190.6	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4011.7	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4884.6	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4300.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3996.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(CC[Se]C[C@H]1O[C@H](N2C=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5087.7	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	4180.3	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	4013.1	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC[Se]C[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]1O	4875.4	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4209.2	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4037.2	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@H]1O[C@H](C[Se]CCC(N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4928.2	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4311.9	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3994.3	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	5107.3	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)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[Si](C)(C)C(C)(C)C	4217.8	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)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[Si](C)(C)C(C)(C)C	4028.7	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CCC(N)C(=O)O)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[Si](C)(C)C(C)(C)C	4981.5	Standard polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	4230.5	Semi standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	4072.8	Standard non polar	33892256
Se-Adenosylselenohomocysteine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC[Se]C[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]1O)C(=O)O	4688.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (Non-derivatized) - 70eV, Positive	splash10-056u-9830100000-9398a270ed78175f1705	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosylselenohomocysteine GC-MS (3 TMS) - 70eV, Positive	splash10-01sl-7193006000-d4458f7312a9f90f4d53	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosylselenohomocysteine 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
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Positive-QTOF	splash10-001r-2215900000-7e601876a6e583c0ee50	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Positive-QTOF	splash10-000i-0900000000-a2ed12145690d087807e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Positive-QTOF	splash10-00li-2900000000-b8810141b211eaa353c8	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Negative-QTOF	splash10-001i-0903100000-b28f2e6b623cc31f8acd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Negative-QTOF	splash10-001i-0900100000-f2ce8f9f27533d01a6c2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Negative-QTOF	splash10-001i-1900000000-618dd770fa6039b2346a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Negative-QTOF	splash10-001i-0009100000-8e90a085d0f721adde42	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Negative-QTOF	splash10-001i-0419000000-9024f64ac25c2668cf19	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Negative-QTOF	splash10-001i-0901000000-47dd6d99ed121a91f552	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 10V, Positive-QTOF	splash10-001i-0000900000-a7089db8158cdf40e75e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 20V, Positive-QTOF	splash10-000i-1927300000-1af2b38820888905de0b	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosylselenohomocysteine 40V, Positive-QTOF	splash10-000i-1900000000-55e9a6584f636b734765	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Selenocompound metabolism	Not Available

Normal Concentrations

Not Available

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

FDB027899

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16682731

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

SEAHCYS

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Enzymes

Enzyme Details

1. Protein arginine N-methyltransferase 3

General function:: Involved in protein methyltransferase activity
Specific function:: Methylates (mono and asymmetric dimethylation) the guanidino nitrogens of arginyl residues in some proteins
Gene Name:: PRMT3
Uniprot ID:: O60678
Molecular weight:: 59902.7

Enzyme Details

2. Putative adenosylhomocysteinase 3

General function:: Involved in adenosylhomocysteinase activity
Specific function:: Not Available
Gene Name:: AHCYL2
Uniprot ID:: Q96HN2
Molecular weight:: 66592.445

Reactions

Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteine	details

Enzyme Details

3. Adenosylhomocysteinase

General function:: Involved in adenosylhomocysteinase activity
Specific function:: Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylations via regulation of the intracellular concentration of adenosylhomocysteine.
Gene Name:: AHCY
Uniprot ID:: P23526
Molecular weight:: 47715.715

Reactions

Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteine	details

Enzyme Details

4. Putative adenosylhomocysteinase 2

General function:: Involved in adenosylhomocysteinase activity
Specific function:: Not Available
Gene Name:: AHCYL1
Uniprot ID:: O43865
Molecular weight:: 53753.0

Reactions

Se-Adenosylselenohomocysteine + Water → Adenosine + Selenohomocysteine	details

Enzyme Details

5. HemK methyltransferase family member 1

General function:: Not Available
Specific function:: N5-glutamine methyltransferase responsible for the methylation of the GGQ triplet of the mitochondrial translation release factor MTRF1L.
Gene Name:: HEMK1
Uniprot ID:: Q9Y5R4
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Enzyme Details

6. Methyltransferase-like protein 2B

General function:: Not Available
Specific function:: Probable methyltransferase (By similarity).
Gene Name:: METTL2B
Uniprot ID:: Q6P1Q9
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Enzyme Details

7. Methyltransferase-like protein 6

General function:: Not Available
Specific function:: Probable methyltransferase (By similarity).
Gene Name:: METTL6
Uniprot ID:: Q8TCB7
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Enzyme Details

8. Uncharacterized methyltransferase WBSCR22

General function:: Not Available
Specific function:: Methyltransferase that may act on DNA.
Gene Name:: WBSCR22
Uniprot ID:: O43709
Molecular weight:: Not Available

Reactions

R + Se-Adenosylselenomethionine → CH3-R + Se-Adenosylselenohomocysteine	details

Showing metabocard for Se-Adenosylselenohomocysteine (HMDB0011117)

MOL for HMDB0011117 (Se-Adenosylselenohomocysteine)

3D MOL for HMDB0011117 (Se-Adenosylselenohomocysteine)

3D SDF for HMDB0011117 (Se-Adenosylselenohomocysteine)

3D-SDF for HMDB0011117 (Se-Adenosylselenohomocysteine)

PDB for HMDB0011117 (Se-Adenosylselenohomocysteine)

3D PDB for HMDB0011117 (Se-Adenosylselenohomocysteine)

SMILES for HMDB0011117 (Se-Adenosylselenohomocysteine)

INCHI for HMDB0011117 (Se-Adenosylselenohomocysteine)

Structure for HMDB0011117 (Se-Adenosylselenohomocysteine)

3D Structure for HMDB0011117 (Se-Adenosylselenohomocysteine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

Reactions

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