| CAS Number | 101020-79-5 |
| Catalog Number | AG00ILR2(AGN-PC-0OQ8Q6) |
| Chemical Name | SAMe-1,4-Butanedisulfonate |
| EC Number | 600-154-4 |
| IUPAC Name | [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;butane-1,4-disulfonate;butane-1,4-disulfonic acid |
| InChI | InChI=1S/2C15H22N6O5S.3C4H10O6S2/c2*1-27(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;3*5-11(6,7)3-1-2-4-12(8,9)10/h2*5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);3*1-4H2,(H,5,6,7)(H,8,9,10)/t2*7-,8+,10+,11+,14+,27?;;;/m00.../s1 |
| InChI Key | QWARKYOPJRNOOU-RLUFNZFXSA-N |
| MDL Number | MFCD11111819 |
| Molecular Formula | C42H74N12O28S8 |
| Molecular Weight | 1451.6206 |
| SMILES | O[C@@H]([C@H]([C@H](N1C=NC2=C1N=CN=C2N)O3)O)[C@H]3C[S+](CC[C@H](N)C(O)=O)C.O[C@@H]([C@H]([C@H](N4C=NC5=C4N=CN=C5N)O6)O)[C@H]6C[S+](CC[C@H](N)C(O)=O)C.O=S(CCCCS(=O)([O-])=O)([O-])=O.O=S(CCCCS(=O)(O)=O)(O)=O.O=S(CCCCS(=O)(O)=O)(O)=O |
| Synonyms | 101020-79-5,
Ademetionine 1,4-butanedisulfonate,
SAMe-1,4-Butanedisulfonate,
S-Adenosylmethione-1,4-butanedisulfonate,
SAMe-14-Butanedisulfonate,
S-Adenosyl-L-Methionine 1,4-butanedisulfonate sodium salt,
MFCD11111819,
AKOS024259134,
AS-13888,
AT-36407,
J-000309,
S-Adenosylmethione-1,4-butanedisulfonate Sodium Salt,
Adenosine, 5'-[[(3S)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-, 1,4-butanedisulfonate (salt), 1,4-butanedisulfonate (salt) (2:1:2),
|