IUPAC name
[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium
SMILES
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
Compound class
Dietary Supplements; Micronutrients; Supplements; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong);
Therapeutic area
For the treatment of depression, liver disorders, fibromyalgia, and osteoarthritis.Also as a dietary supplement for the support of bone and joint health, as well as mood and emotional well being.
Common name
S-Adenosylmethionine
IUPAC name
[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium
SMILES
C[S+](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12
INCHI
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
FORMULA
C15H23N6O5S
Common name
S-Adenosylmethionine
IUPAC name
[(3S)-3-amino-3-carboxypropyl]({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium
Molecular weight
399.445
clogP
-3.372
clogS
-0.159
HBond Acceptor
8
HBond Donor
7
Total Polar Surface Area
182.63
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF00053 | (2R,3S,4S)-2-methyltetrahydrofuran-3,4-diol |
|
O1C(C(C(C1)O)O)C | 0.0014 |
| FDBF00054 | (dimethyl-λ3-sulfanyl)methane |
|
[S](C)(C)C | 0.0003 |
| FDBF00055 | methylsulfanylethane |
|
S(C)CC | 0.0089 |
| FDBF00056 | (2S,3S,4S)-2-[(dimethyl-λ3-sulfanyl)methyl]tetrahydrofuran-3,4-diol |
|
[S](C)(CC1OCC(C1O)O)C | 0.0003 |
| FDBF00057 | (dimethyl-λ3-sulfanyl)ethane |
|
[S](C)(C)CC | 0.0003 |
| FDBF00058 | (2S,3S,4S)-2-[[ethyl(methyl)-λ3-sulfanyl]methyl]tetrahydrofuran-3,4-diol |
|
[S](C)(CC1OCC(C1O)O)CC | 0.0003 |
| FDBF00059 | (3S,4R)-tetrahydrofuran-3,4-diol |
|
O1CC(C(C1)O)O | 0.0048 |
