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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
3
Total Number of Articles : 3
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| PubChem |
3080604
|
| Molecular Formula |
C11H15N5O4S |
| SMILES |
CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N |
| InChI |
InChI=1S/C11H15N5O4S/c1-21-11-14-8(12)5-9(15-11)16(3-13-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 |
| synonyms |
- 2-Methylthioadenosine
- 4105-39-9
- (2R,3R,4S,5R)-2-(6-amino-2-methylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
- NSC 36900
- 2-(Methylthio)adenosine
- CHEMBL1651381
- (2R,3R,4S,5R)-2-(6-amino-2-(methylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
- Adenosine, 2-(methylthio)-
- 2-MeS-adenosine
- Adenosine, 2-MeS-
- 2-methylthioade-nosine
- 2-Methylthio-D-adenosine
- SCHEMBL2461484
- (2R,3R,4S,5R)-2-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- BDBM50335292
- NM09610
- 2-Methylthioadenosine; LC-tDDA; CE10
- PD016797
- (2R,3R,4S,5R)-2-(6-Amino-2-methylsulfanyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
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| Properties |
| Property |
Value |
| MW |
313.34 g/mol |
| HBD |
4 |
| HBA |
9 |
| Rotatable Bond Count |
3 |
| Exact Mass |
313.08447515 g/mol |
| Monoisotopic Mass |
313.08447515 g/mol |
| Heavy Atom Count |
21 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
4 |
| Covalent Unit Count |
1 |
| Complexity |
381 |
| xlogp |
-0.2 |
| Topological Polar Surface Area |
165 |
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