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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2017-03-23 03:11:13 UTC

Update Date

2022-03-07 03:17:55 UTC

HMDB ID

HMDB0062526

Secondary Accession Numbers

HMDB62526

Metabolite Identification

Common Name

Se-Adenosyl-L-selenohomocysteine

Description

Se-Adenosyl-L-selenohomocysteine is classified as a member of the 5'-deoxyribonucleosides. 5'-deoxyribonucleosides are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom.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-Adenosyl-L-selenohomocysteine is considered to be slightly soluble (in water) and acidic

Structure

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

  Mrv0541 05041410562D          

 31 33  0  0  1  0            999 V2000
    0.3801    5.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3344    5.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634    4.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373    7.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0165    4.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    5.4456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4778    5.0331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9097    5.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641    5.8536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3710    6.0251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5772    5.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1561    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835    5.3106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8090    5.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3308    5.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4909    6.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0698    6.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8235    4.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    5.2244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    6.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7066    6.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    5.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315    4.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489    5.0331    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    4.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813    5.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392    5.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    6.6662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329    6.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
  6 15  1  1  0  0  0
 16 11  1  0  0  0  0
 17  4  2  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 18 12  2  0  0  0  0
 19  5  2  0  0  0  0
 19  8  1  0  0  0  0
 20  5  1  0  0  0  0
 20 12  1  0  0  0  0
 13 20  1  1  0  0  0
  9 21  1  6  0  0  0
 10 22  1  6  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25  7  1  0  0  0  0
 25 13  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
  6 27  1  1  0  0  0
  7 28  1  6  0  0  0
  9 29  1  1  0  0  0
 10 30  1  1  0  0  0
 13 31  1  6  0  0  0
M  END

HMDB0062526
     RDKit          3D
Se-Adenosyl-L-selenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.2906    2.0689    0.9706 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3699    1.4428    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5713    1.5107   -1.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7081    0.9218   -2.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    0.2467   -1.6929 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856    0.1581   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2545    0.7519    0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7751    0.5022    1.7415 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -0.2249    1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3815   -0.4505    0.3025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -1.1895   -0.2355 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3097   -0.3780   -0.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -0.5132   -0.1367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6726    0.7537   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    0.5501    0.9023 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.8694    0.7793   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8608   -0.2841    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1156   -0.2268   -0.7519 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7915   -0.4058   -2.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9198    0.9772   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2626    1.7329   -1.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3061    1.2765    0.7843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -1.0947    1.2183 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5715   -1.9016    1.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -1.9980    0.8359 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0308   -3.1507    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    1.9633    0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    2.6331    1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8797    0.9826   -3.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0471   -0.5664    2.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -1.8984   -1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -1.2712   -0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050    1.1068   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0636    1.5504    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934    1.8018   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.7149   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163   -0.1584    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3964   -1.2707   -0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7338   -1.1134   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0903   -1.1449   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3998    0.4793   -2.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6068    1.2246    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -0.2858    1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783   -1.4303    2.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2427   -2.2757    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089   -2.8962   -0.6563 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  6
 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  1
 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 05041410562D          

 31 33  0  0  1  0            999 V2000
    0.3801    5.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3344    5.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7634    4.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7373    7.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0165    4.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    5.4456    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4778    5.0331    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9097    5.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5641    5.8536    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3710    6.0251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.5772    5.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1561    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835    5.3106    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8090    5.0331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    6.2706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3308    5.6513    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4909    6.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0698    6.6580    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8235    4.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6040    5.2244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510    6.4056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7066    6.7788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5235    5.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8090    4.2081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315    4.6975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0489    5.0331    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    1.0945    4.6206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813    5.6920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7392    5.8392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8518    6.6662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2329    6.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  6  1  1  0  0  0  0
  7  3  1  1  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14  6  1  0  0  0  0
  6 15  1  1  0  0  0
 16 11  1  0  0  0  0
 17  4  2  0  0  0  0
 17 11  1  0  0  0  0
 18  4  1  0  0  0  0
 18 12  2  0  0  0  0
 19  5  2  0  0  0  0
 19  8  1  0  0  0  0
 20  5  1  0  0  0  0
 20 12  1  0  0  0  0
 13 20  1  1  0  0  0
  9 21  1  6  0  0  0
 10 22  1  6  0  0  0
 23 14  2  0  0  0  0
 24 14  1  0  0  0  0
 25  7  1  0  0  0  0
 25 13  1  0  0  0  0
 26  2  1  0  0  0  0
 26  3  1  0  0  0  0
  6 27  1  1  0  0  0
  7 28  1  6  0  0  0
  9 29  1  1  0  0  0
 10 30  1  1  0  0  0
 13 31  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0062526

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)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+/m0/s1

> <INCHI_KEY>
UVSMMLABJBJNGH-WFMPWKQPSA-N

> <FORMULA>
C14H20N6O5Se

> <MOLECULAR_WEIGHT>
431.31

> <EXACT_MASS>
432.066039608

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
36.60088464420881

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-2.54

> <JCHEM_LOGP>
-5.311842791678921

> <ALOGPS_LOGS>
-1.71

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.472280047584583

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.3115143598453258

> <JCHEM_PKA_STRONGEST_BASIC>
9.501861396285875

> <JCHEM_POLAR_SURFACE_AREA>
182.63

> <JCHEM_REFRACTIVITY>
98.0449

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.42e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0062526
     RDKit          3D
Se-Adenosyl-L-selenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.2906    2.0689    0.9706 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3699    1.4428    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5713    1.5107   -1.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7081    0.9218   -2.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    0.2467   -1.6929 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856    0.1581   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2545    0.7519    0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7751    0.5022    1.7415 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -0.2249    1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3815   -0.4505    0.3025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -1.1895   -0.2355 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3097   -0.3780   -0.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -0.5132   -0.1367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6726    0.7537   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    0.5501    0.9023 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.8694    0.7793   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8608   -0.2841    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1156   -0.2268   -0.7519 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7915   -0.4058   -2.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9198    0.9772   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2626    1.7329   -1.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3061    1.2765    0.7843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -1.0947    1.2183 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5715   -1.9016    1.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -1.9980    0.8359 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0308   -3.1507    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    1.9633    0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    2.6331    1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8797    0.9826   -3.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0471   -0.5664    2.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -1.8984   -1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -1.2712   -0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050    1.1068   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0636    1.5504    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934    1.8018   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.7149   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163   -0.1584    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3964   -1.2707   -0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7338   -1.1134   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0903   -1.1449   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3998    0.4793   -2.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6068    1.2246    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -0.2858    1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783   -1.4303    2.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2427   -2.2757    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089   -2.8962   -0.6563 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  6
 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  1
 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                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   26 Se   UNK     0       0.000   0.000   0.000  0.00  0.00          Se+0
HETATM   27  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   28  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2    6                                                       
CONECT    2    1   26                                                       
CONECT    3    7   26                                                       
CONECT    4   17   18                                                       
CONECT    5   19   20                                                       
CONECT    6    1   14   15   27                                             
CONECT    7    3    9   25   28                                             
CONECT    8   11   12   19                                                  
CONECT    9    7   10   21   29                                             
CONECT   10    9   13   22   30                                             
CONECT   11    8   16   17                                                  
CONECT   12    8   18   20                                                  
CONECT   13   10   20   25   31                                             
CONECT   14    6   23   24                                                  
CONECT   15    6                                                            
CONECT   16   11                                                            
CONECT   17    4   11                                                       
CONECT   18    4   12                                                       
CONECT   19    5    8                                                       
CONECT   20    5   12   13                                                  
CONECT   21    9                                                            
CONECT   22   10                                                            
CONECT   23   14                                                            
CONECT   24   14                                                            
CONECT   25    7   13                                                       
CONECT   26    2    3                                                       
CONECT   27    6                                                            
CONECT   28    7                                                            
CONECT   29    9                                                            
CONECT   30   10                                                            
CONECT   31   13                                                            
MASTER        0    0    0    0    0    0    0    0   31    0   66    0
END

COMPND    HMDB0062526
HETATM    1  N1  UNL     1       7.291   2.069   0.971  1.00  0.00           N  
HETATM    2  C1  UNL     1       6.370   1.443   0.092  1.00  0.00           C  
HETATM    3  N2  UNL     1       6.571   1.511  -1.236  1.00  0.00           N  
HETATM    4  C2  UNL     1       5.708   0.922  -2.100  1.00  0.00           C  
HETATM    5  N3  UNL     1       4.619   0.247  -1.693  1.00  0.00           N  
HETATM    6  C3  UNL     1       4.386   0.158  -0.374  1.00  0.00           C  
HETATM    7  C4  UNL     1       5.255   0.752   0.519  1.00  0.00           C  
HETATM    8  N4  UNL     1       4.775   0.502   1.741  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.643  -0.225   1.602  1.00  0.00           C  
HETATM   10  N5  UNL     1       3.381  -0.451   0.303  1.00  0.00           N  
HETATM   11  C6  UNL     1       2.259  -1.190  -0.235  1.00  0.00           C  
HETATM   12  O1  UNL     1       1.310  -0.378  -0.817  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.131  -0.513  -0.137  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.673   0.754  -0.054  1.00  0.00           C  
HETATM   15 SE1  UNL     1      -2.321   0.550   0.902  1.00  0.00          SE  
HETATM   16  C9  UNL     1      -3.869   0.779  -0.284  1.00  0.00           C  
HETATM   17  C10 UNL     1      -4.861  -0.284   0.089  1.00  0.00           C  
HETATM   18  C11 UNL     1      -6.116  -0.227  -0.752  1.00  0.00           C  
HETATM   19  N6  UNL     1      -5.792  -0.406  -2.145  1.00  0.00           N  
HETATM   20  C12 UNL     1      -6.920   0.977  -0.511  1.00  0.00           C  
HETATM   21  O2  UNL     1      -7.263   1.733  -1.433  1.00  0.00           O  
HETATM   22  O3  UNL     1      -7.306   1.277   0.784  1.00  0.00           O  
HETATM   23  C13 UNL     1       0.449  -1.095   1.218  1.00  0.00           C  
HETATM   24  O4  UNL     1      -0.572  -1.902   1.702  1.00  0.00           O  
HETATM   25  C14 UNL     1       1.607  -1.998   0.836  1.00  0.00           C  
HETATM   26  O5  UNL     1       1.031  -3.151   0.256  1.00  0.00           O  
HETATM   27  H1  UNL     1       8.308   1.963   0.785  1.00  0.00           H  
HETATM   28  H2  UNL     1       7.009   2.633   1.797  1.00  0.00           H  
HETATM   29  H3  UNL     1       5.880   0.983  -3.168  1.00  0.00           H  
HETATM   30  H4  UNL     1       3.047  -0.566   2.441  1.00  0.00           H  
HETATM   31  H5  UNL     1       2.607  -1.898  -1.036  1.00  0.00           H  
HETATM   32  H6  UNL     1      -0.525  -1.271  -0.651  1.00  0.00           H  
HETATM   33  H7  UNL     1      -0.905   1.107  -1.079  1.00  0.00           H  
HETATM   34  H8  UNL     1      -0.064   1.550   0.420  1.00  0.00           H  
HETATM   35  H9  UNL     1      -4.293   1.802  -0.148  1.00  0.00           H  
HETATM   36  H10 UNL     1      -3.515   0.715  -1.313  1.00  0.00           H  
HETATM   37  H11 UNL     1      -5.116  -0.158   1.155  1.00  0.00           H  
HETATM   38  H12 UNL     1      -4.396  -1.271  -0.068  1.00  0.00           H  
HETATM   39  H13 UNL     1      -6.734  -1.113  -0.452  1.00  0.00           H  
HETATM   40  H14 UNL     1      -5.090  -1.145  -2.273  1.00  0.00           H  
HETATM   41  H15 UNL     1      -5.400   0.479  -2.548  1.00  0.00           H  
HETATM   42  H16 UNL     1      -6.607   1.225   1.515  1.00  0.00           H  
HETATM   43  H17 UNL     1       0.728  -0.286   1.892  1.00  0.00           H  
HETATM   44  H18 UNL     1      -0.978  -1.430   2.473  1.00  0.00           H  
HETATM   45  H19 UNL     1       2.243  -2.276   1.672  1.00  0.00           H  
HETATM   46  H20 UNL     1       0.709  -2.896  -0.656  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

HMDB0062526
     RDKit          3D
Se-Adenosyl-L-selenohomocysteine
 46 48  0  0  0  0  0  0  0  0999 V2000
    7.2906    2.0689    0.9706 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3699    1.4428    0.0924 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5713    1.5107   -1.2357 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7081    0.9218   -2.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6188    0.2467   -1.6929 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856    0.1581   -0.3745 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2545    0.7519    0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7751    0.5022    1.7415 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -0.2249    1.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3815   -0.4505    0.3025 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2592   -1.1895   -0.2355 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3097   -0.3780   -0.8175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1308   -0.5132   -0.1367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6726    0.7537   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    0.5501    0.9023 Se  0  0  0  0  0  2  0  0  0  0  0  0
   -3.8694    0.7793   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8608   -0.2841    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1156   -0.2268   -0.7519 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.7915   -0.4058   -2.1449 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9198    0.9772   -0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2626    1.7329   -1.4332 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3061    1.2765    0.7843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -1.0947    1.2183 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5715   -1.9016    1.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6067   -1.9980    0.8359 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0308   -3.1507    0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3082    1.9633    0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0090    2.6331    1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8797    0.9826   -3.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0471   -0.5664    2.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -1.8984   -1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5245   -1.2712   -0.6514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9050    1.1068   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0636    1.5504    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2934    1.8018   -0.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5152    0.7149   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1163   -0.1584    1.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3964   -1.2707   -0.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7338   -1.1134   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0903   -1.1449   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3998    0.4793   -2.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6068    1.2246    1.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -0.2858    1.8923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783   -1.4303    2.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2427   -2.2757    1.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7089   -2.8962   -0.6563 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  6
 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  1
 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

Value	Source
Se-adenosylselenohomocysteine	ChEBI
Se-adenosyl-L-selenohomocysteine	ChEBI

Chemical Formula

C₁₄H₂₀N₆O₅Se

Average Molecular Weight

431.31

Monoisotopic Molecular Weight

432.066039608

IUPAC Name

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

Traditional Name

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

CAS Registry Number

Not Available

SMILES

[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)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+/m0/s1

InChI Key

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

selenoamino acid (CHEBI:77028 )
adenosines (CHEBI:77028 )

Ontology

Not Available

Exogenous (HMDB: HMDB0062526)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	8.42 g/l	ALOGPS
LogP	-2.54	ALOGPS

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
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	11	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	36.6 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]-	213.916	30932474
DeepCCS	[M+Na]+	188.106	30932474
AllCCS	[M+H]+	188.5	32859911
AllCCS	[M+H-H2O]+	186.4	32859911
AllCCS	[M+NH4]+	190.4	32859911
AllCCS	[M+Na]+	191.0	32859911
AllCCS	[M-H]-	181.0	32859911
AllCCS	[M+Na-2H]-	181.1	32859911
AllCCS	[M+HCOO]-	181.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Se-Adenosyl-L-selenohomocysteine	[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O	4027.3	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine	[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O	3419.9	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine	[H][C@](N)(CC[Se]C[C@@]1([H])O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O)C(O)=O	4035.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3580.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3596.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3479.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #4	C[Si](C)(C)N[C@@H](CC[Se]C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O	3578.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O	3617.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #1	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	3462.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O	3538.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #11	C[Si](C)(C)N([C@@H](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	3584.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #12	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C	3520.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](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	3419.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #3	C[Si](C)(C)N[C@@H](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	3473.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #4	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3518.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #5	C[Si](C)(C)OC(=O)[C@@H](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	3416.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #6	C[Si](C)(C)N[C@@H](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	3474.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3532.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #8	C[Si](C)(C)N[C@@H](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	3449.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3471.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@@H](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	3342.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3430.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O	3466.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3494.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	3446.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #14	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	3466.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H](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	3513.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #16	C[Si](C)(C)OC(=O)[C@@H](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	3431.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #17	C[Si](C)(C)N[C@@H](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	3465.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	3579.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #2	C[Si](C)(C)N[C@@H](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	3369.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3447.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #4	C[Si](C)(C)N[C@@H](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	3383.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3430.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C	3466.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	3484.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3448.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #9	C[Si](C)(C)N[C@@H](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	3389.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](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	3349.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](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	3229.6	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #1	C[Si](C)(C)N[C@@H](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	5116.6	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3499.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3443.9	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	5071.7	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3423.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3299.8	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4928.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](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	3489.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](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	3326.6	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](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	5164.8	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](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	3416.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](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	3281.9	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@@H](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	4933.3	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](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	3425.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](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	3367.6	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #14	C[Si](C)(C)N[C@@H](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	4668.1	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3510.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	3434.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	5030.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #16	C[Si](C)(C)N[C@@H](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	3426.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #16	C[Si](C)(C)N[C@@H](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	3309.6	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #16	C[Si](C)(C)N[C@@H](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	4684.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	3560.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	3385.0	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #17	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O	5074.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #18	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3558.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #18	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	3457.5	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #18	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H](O)[C@H]1O)[Si](C)(C)C	4820.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3401.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3255.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5251.2	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3428.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3353.5	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #3	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	5009.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3399.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3371.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	5188.3	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	3405.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	3322.0	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	5112.2	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3430.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	3306.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4975.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](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	3477.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](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	3333.5	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H](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	5189.2	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](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	3421.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](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	3284.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@@H](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	4961.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](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	3426.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](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	3373.5	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #9	C[Si](C)(C)N[C@@H](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	4715.3	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	3434.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	3298.2	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #1	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4591.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3557.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3373.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #10	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4641.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3552.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3430.2	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #11	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	4387.2	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](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	3577.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](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	3380.2	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H](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	4430.5	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](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	3463.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](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	3304.3	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H](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	4970.8	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](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	3422.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](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	3235.0	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](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	4713.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](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	3419.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](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	3333.3	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #4	C[Si](C)(C)N[C@@H](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	4330.6	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3489.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3423.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #5	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4689.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](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	3438.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](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	3280.6	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #6	C[Si](C)(C)N[C@@H](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	4291.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3550.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3376.8	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4684.8	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3545.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	3432.5	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #8	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)O[C@H]1N1C=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4429.7	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #9	C[Si](C)(C)N[C@@H](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	3433.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #9	C[Si](C)(C)N[C@@H](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	3279.7	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #9	C[Si](C)(C)N[C@@H](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	4244.8	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](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	3471.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](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	3259.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #1	C[Si](C)(C)N[C@@H](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	3992.1	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3564.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	3368.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #2	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4395.1	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3560.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3386.9	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	4108.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](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	3600.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](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	3342.8	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H](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	4098.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](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	3606.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](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	3342.2	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H](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	4052.3	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@H]1N1C=NC2=C(N)N=CN=C21	3810.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O	3817.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](N)CC[Se]C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	3755.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](CC[Se]C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)C(=O)O	3821.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O	3832.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	3943.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O	3987.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)N([C@@H](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	4039.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	3944.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	3917.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N[C@@H](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	3950.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	3951.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	3918.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)N[C@@H](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	3948.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	3951.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)N[C@@H](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	3920.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	3926.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4046.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4055.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4092.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	4184.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	4085.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4076.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	4158.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4036.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N[C@@H](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	4096.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4214.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N[C@@H](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	4044.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4079.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N[C@@H](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	4042.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4065.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4088.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[C@H]1N1C=NC2=C(N)N=CN=C21	4177.4	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](C[Se]CC[C@H](N)C(=O)O)O[C@H]1N1C=NC2=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=CN=C21	4087.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](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	4041.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](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	4142.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](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	3897.5	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N[C@@H](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	5087.3	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4341.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4113.7	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4970.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4195.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4016.9	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4867.8	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	4295.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	3981.7	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	5089.2	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4188.5	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4010.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4882.5	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](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	4240.9	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](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	4082.3	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)N[C@@H](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	4659.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4348.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4107.6	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4936.5	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](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	4188.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](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	4042.0	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N[C@@H](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	4660.6	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4321.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4073.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4969.0	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4379.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4148.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@@H](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	4749.1	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4201.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	3975.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	5159.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4214.7	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4054.0	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4937.4	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	4298.0	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	3998.2	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@@H](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	5117.5	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	4215.8	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	4030.8	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C[Se]CC[C@H](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	5013.1	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4203.1	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4025.1	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](C[Se]CC[C@H](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	4903.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	4291.6	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	3990.4	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H](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	5109.9	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4188.2	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4015.0	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](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	4906.1	Standard polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](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	4236.3	Semi standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](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	4089.2	Standard non polar	33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)N[C@@H](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	4693.6	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (Non-derivatized) - 70eV, Positive	splash10-056u-9830100000-97bca38a2ec23aaeb0cd	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (3 TMS) - 70eV, Positive	splash10-001i-4311095000-c95e9cebac8abfa65965	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine 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-Adenosyl-L-selenohomocysteine 10V, Positive-QTOF	splash10-001r-2325900000-78b0cfbf5d8917982e3a	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Positive-QTOF	splash10-000i-0901100000-c1c56a5e7c5739f63880	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Positive-QTOF	splash10-000i-2900000000-af7fe662d17862f06fb5	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Negative-QTOF	splash10-001i-0904100000-bd038ffc6b3eca675068	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Negative-QTOF	splash10-001i-0900000000-74949c11d6ce85748d3b	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Negative-QTOF	splash10-001i-1900000000-72339f056ef485e838e4	2017-07-26	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Positive-QTOF	splash10-001i-0000900000-3c2d3d0cff814bfe81e6	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Positive-QTOF	splash10-000i-0917300000-6b3148714f0a93077c3d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Positive-QTOF	splash10-000i-0900000000-36fa3f0a414df974e369	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Negative-QTOF	splash10-001i-0009500000-2de5d2249f5581eda419	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Negative-QTOF	splash10-001i-0908000000-451ce8fae7a16f7ec03c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Negative-QTOF	splash10-001i-1900000000-2d21c74c54f426d9faa0	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)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB03423

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

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

446317

PDB ID

SAI

ChEBI ID

77028

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)

Not Available

General References

Not Available

Showing metabocard for Se-Adenosyl-L-selenohomocysteine (HMDB0062526)

MOL for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

3D MOL for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

3D SDF for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

3D-SDF for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

PDB for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

3D PDB for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

SMILES for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

INCHI for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

Structure for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

3D Structure for HMDB0062526 (Se-Adenosyl-L-selenohomocysteine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra