S-Adenosylmethionine 1,4-butanedisulfonate

S-Adenosylmethionine 1,4-butanedisulfonate

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S-Adenosylmethionine 1,4-butanedisulfonate

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S-Adenosylmethionine 1,4-butanedisulfonate

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Catalog Number	PR101020795
CAS	101020-79-5
Synonyms	Ademethionine 1,4-Butanedisulfonate
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
Molecular Weight	1451.6
Molecular Formula	C42H74N12O28S8
InChI	InChI=1S/2C15H22N6O5S.3C4H10O6S2/c21-27(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;35-11(6,7)3-1-2-4-12(8,9)10/h25-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);31-4H2,(H,5,6,7)(H,8,9,10)/t2*7-,8+,10+,11+,14+,27?;;;/m00.../s1
InChI Key	QWARKYOPJRNOOU-RLUFNZFXSA-N
EC Number	600-154-4
Isomeric SMILES	C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O.C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-]

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