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

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 03:11:13 UTC
Update Date2022-03-07 03:17:55 UTC
HMDB IDHMDB0062526
Secondary Accession Numbers
  • HMDB62526
Metabolite Identification
Common NameSe-Adenosyl-L-selenohomocysteine
DescriptionSe-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5'-deoxyribonucleosides are nucleosides in which the oxygen atom at the 5'position of the ribose moiety has been replaced by another atom.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
Data?1563866324
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

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


  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
Download

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

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
Download

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


  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

$$$$
Download

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

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

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

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

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
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Se-adenosylselenohomocysteineChEBI
Se-adenosyl-L-selenohomocysteineChEBI
Chemical FormulaC14H20N6O5Se
Average Molecular Weight431.31
Monoisotopic Molecular Weight432.066039608
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 NumberNot 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 KeyUVSMMLABJBJNGH-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.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
Class5'-deoxyribonucleosides
Sub ClassNot Available
Direct Parent5'-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 FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility8.42 g/lALOGPS
LogP-2.54ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.5ALOGPS
logP-5.3ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)1.31ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area182.63 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity98.04 m³·mol⁻¹ChemAxon
Polarizability36.6 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-213.91630932474
DeepCCS[M+Na]+188.10630932474
AllCCS[M+H]+188.532859911
AllCCS[M+H-H2O]+186.432859911
AllCCS[M+NH4]+190.432859911
AllCCS[M+Na]+191.032859911
AllCCS[M-H]-181.032859911
AllCCS[M+Na-2H]-181.132859911
AllCCS[M+HCOO]-181.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
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)=O4027.3Standard polar33892256
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)=O3419.9Standard non polar33892256
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)=O4035.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #1C[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=C213580.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #2C[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]1O3596.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #3C[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]1O3479.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #4C[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)O3578.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TMS,isomer #5C[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]1O3617.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #1C[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)C3462.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #10C[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]1O3538.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #11C[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)C3584.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #12C[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)C3520.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #2C[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]1O3419.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #3C[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)O3473.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #4C[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)C3518.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #5C[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)C3416.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #6C[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)O3474.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #7C[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]1O3532.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #8C[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)C3449.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TMS,isomer #9C[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]1O3471.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #1C[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)C3342.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #10C[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]1O3430.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #11C[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]1O3466.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #12C[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]1O3494.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #13C[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]1O3446.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #14C[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]1O3466.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #15C[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)C3513.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #16C[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]1O3431.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #17C[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)O3465.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #18C[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]1O3579.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #2C[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)O3369.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #3C[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)C3447.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #4C[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)C3383.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #5C[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)C3430.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #6C[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)C3466.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #7C[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=C213484.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #8C[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=C213448.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TMS,isomer #9C[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)C3389.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #1C[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)C3349.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #1C[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)C3229.6Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #1C[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)C5116.6Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #10C[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)C3499.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #10C[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)C3443.9Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #10C[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)C5071.7Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #11C[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]1O3423.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #11C[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]1O3299.8Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #11C[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]1O4928.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #12C[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)C3489.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #12C[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)C3326.6Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #12C[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)C5164.8Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #13C[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)C3416.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #13C[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)C3281.9Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #13C[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)C4933.3Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #14C[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)O3425.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #14C[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)O3367.6Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #14C[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)O4668.1Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #15C[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]1O3510.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #15C[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]1O3434.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #15C[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]1O5030.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #16C[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)C3426.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #16C[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)C3309.6Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #16C[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)C4684.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #17C[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]1O3560.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #17C[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]1O3385.0Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #17C[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]1O5074.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #18C[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)C3558.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #18C[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)C3457.5Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #18C[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)C4820.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #2C[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)C3401.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #2C[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)C3255.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #2C[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)C5251.2Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #3C[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)C3428.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #3C[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)C3353.5Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #3C[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)C5009.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #4C[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)C3399.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #4C[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)C3371.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #4C[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)C5188.3Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #5C[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)C3405.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #5C[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)C3322.0Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #5C[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)C5112.2Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #6C[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)C3430.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #6C[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)C3306.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #6C[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)C4975.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #7C[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)C3477.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #7C[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)C3333.5Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #7C[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)C5189.2Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #8C[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]1O3421.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #8C[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]1O3284.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #8C[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]1O4961.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #9C[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)O3426.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #9C[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)O3373.5Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TMS,isomer #9C[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)O4715.3Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #1C[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)C3434.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #1C[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)C3298.2Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #1C[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)C4591.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #10C[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]1O3557.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #10C[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]1O3373.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #10C[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]1O4641.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #11C[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]1O3552.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #11C[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]1O3430.2Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #11C[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]1O4387.2Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #12C[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)C3577.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #12C[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)C3380.2Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #12C[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)C4430.5Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #2C[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)C3463.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #2C[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)C3304.3Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #2C[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)C4970.8Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #3C[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)C3422.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #3C[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)C3235.0Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #3C[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)C4713.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #4C[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)O3419.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #4C[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)O3333.3Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #4C[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)O4330.6Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #5C[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)C3489.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #5C[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)C3423.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #5C[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)C4689.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #6C[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)C3438.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #6C[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)C3280.6Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #6C[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)C4291.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #7C[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)C3550.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #7C[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)C3376.8Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #7C[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)C4684.8Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #8C[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=C213545.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #8C[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=C213432.5Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #8C[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=C214429.7Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #9C[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)C3433.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #9C[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)C3279.7Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,5TMS,isomer #9C[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)C4244.8Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #1C[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)C3471.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #1C[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)C3259.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #1C[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)C3992.1Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #2C[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)C3564.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #2C[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)C3368.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #2C[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)C4395.1Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #3C[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)C3560.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #3C[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)C3386.9Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #3C[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)C4108.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #4C[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)C3600.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #4C[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)C3342.8Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #4C[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)C4098.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #5C[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)C3606.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #5C[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)C3342.2Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,6TMS,isomer #5C[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)C4052.3Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #1CC(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=C213810.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #2CC(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]1O3817.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #3CC(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]1O3755.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #4CC(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)O3821.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,1TBDMS,isomer #5CC(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]1O3832.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #1CC(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)C3943.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #10CC(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]1O3987.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #11CC(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)C4039.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #12CC(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)C3944.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #2CC(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]1O3917.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #3CC(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)O3950.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #4CC(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)C3951.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #5CC(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)C3918.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #6CC(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)O3948.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #7CC(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]1O3951.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #8CC(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)C3920.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,2TBDMS,isomer #9CC(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]1O3926.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #1CC(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)C4046.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #10CC(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]1O4055.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #11CC(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]1O4092.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #12CC(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]1O4184.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #13CC(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]1O4085.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #14CC(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]1O4076.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #15CC(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)C4158.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #16CC(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]1O4036.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #17CC(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)O4096.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #18CC(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]1O4214.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #2CC(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)O4044.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #3CC(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)C4079.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #4CC(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)C4042.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #5CC(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)C4065.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #6CC(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)C4088.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #7CC(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=C214177.4Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #8CC(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=C214087.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,3TBDMS,isomer #9CC(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)C4041.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #1CC(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)C4142.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #1CC(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)C3897.5Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #1CC(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)C5087.3Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #10CC(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)C4341.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #10CC(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)C4113.7Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #10CC(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)C4970.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #11CC(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]1O4195.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #11CC(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]1O4016.9Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #11CC(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]1O4867.8Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #12CC(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)C4295.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #12CC(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)C3981.7Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #12CC(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)C5089.2Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #13CC(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)C4188.5Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #13CC(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)C4010.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #13CC(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)C4882.5Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #14CC(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)O4240.9Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #14CC(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)O4082.3Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #14CC(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)O4659.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #15CC(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]1O4348.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #15CC(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]1O4107.6Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #15CC(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]1O4936.5Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #16CC(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)C4188.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #16CC(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)C4042.0Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #16CC(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)C4660.6Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #17CC(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]1O4321.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #17CC(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]1O4073.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #17CC(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]1O4969.0Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #18CC(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)C4379.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #18CC(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)C4148.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #18CC(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)C4749.1Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #2CC(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)C4201.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #2CC(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)C3975.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #2CC(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)C5159.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #3CC(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)C4214.7Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #3CC(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)C4054.0Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #3CC(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)C4937.4Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #4CC(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)C4298.0Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #4CC(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)C3998.2Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #4CC(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)C5117.5Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #5CC(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)C4215.8Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #5CC(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)C4030.8Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #5CC(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)C5013.1Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #6CC(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)C4203.1Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #6CC(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)C4025.1Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #6CC(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)C4903.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #7CC(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)C4291.6Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #7CC(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)C3990.4Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #7CC(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)C5109.9Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #8CC(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]1O4188.2Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #8CC(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]1O4015.0Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #8CC(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]1O4906.1Standard polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #9CC(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)O4236.3Semi standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #9CC(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)O4089.2Standard non polar33892256
Se-Adenosyl-L-selenohomocysteine,4TBDMS,isomer #9CC(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)O4693.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (Non-derivatized) - 70eV, Positivesplash10-056u-9830100000-97bca38a2ec23aaeb0cd2017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (3 TMS) - 70eV, Positivesplash10-001i-4311095000-c95e9cebac8abfa659652017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Se-Adenosyl-L-selenohomocysteine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Positive-QTOFsplash10-001r-2325900000-78b0cfbf5d8917982e3a2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Positive-QTOFsplash10-000i-0901100000-c1c56a5e7c5739f638802017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Positive-QTOFsplash10-000i-2900000000-af7fe662d17862f06fb52017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Negative-QTOFsplash10-001i-0904100000-bd038ffc6b3eca6750682017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Negative-QTOFsplash10-001i-0900000000-74949c11d6ce85748d3b2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Negative-QTOFsplash10-001i-1900000000-72339f056ef485e838e42017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Positive-QTOFsplash10-001i-0000900000-3c2d3d0cff814bfe81e62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Positive-QTOFsplash10-000i-0917300000-6b3148714f0a93077c3d2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Positive-QTOFsplash10-000i-0900000000-36fa3f0a414df974e3692021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 10V, Negative-QTOFsplash10-001i-0009500000-2de5d2249f5581eda4192021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 20V, Negative-QTOFsplash10-001i-0908000000-451ce8fae7a16f7ec03c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Se-Adenosyl-L-selenohomocysteine 40V, Negative-QTOFsplash10-001i-1900000000-2d21c74c54f426d9faa02021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03423
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound446317
PDB IDSAI
ChEBI ID77028
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available