S-Adenosylethionine

2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]butanoate

Also Known As: S-Adenosylethionine|AdoEth|2-amino-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-ethylsulfonio]butanoate|(S)-5'-((3-Amino-3-carboxypropyl)ethylsulfonio)-5'-deoxyadenosine inner salt|(X)-Adenosin-5'-yl-aethyl-((S)-3-amino-3-carboxy-propyl)-sulfonium-betain|2-amino-4-[{[5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(ethyl)sulfonio]butanoate(non-preferred name)|Adenosine, 5'-((3-amino-3-carboxypropyl)ethylsulfonio)-5'-deoxy-, inner salt, (S)-|Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]ethylsulfonio]-5'-deoxy-, inner salt|2-Amino-4-[{[5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}(ethyl)sulfaniumyl]butanoate

Molecular Formula	C16H24N6O5S
Molecular Weight	412.1529 g/mol
LogP	-2.87
Topological Polar Surface Area	185.46 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	412.1529
Heavy Atoms	28
Complexity	835.0

Chemical Identifiers

CAS Number	524-70-9
SMILES	CC[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O