Catalog Number:
AG00ILR2
Chemical Name:
SAMe-1，4-Butanedisulfonate
CAS Number:
101020-79-5
Molecular Formula:
C42H74N12O28S8
Molecular Weight:
1451.6206
MDL Number:
MFCD11111819
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
SMILES:
OS(=O)(=O)CCCCS(=O)(=O)O.OS(=O)(=O)CCCCS(=O)(=O)O.[O-]S(=O)(=O)CCCCS(=O)(=O)[O-].C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N.C[S+](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N
EC Number:
600-154-4
