Methylthioadenosine
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
Molecular Identity
Methylthioadenosine
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol
PubChem CID: 439176
5'-S-methyl-5'-thioadenosine is adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabolite and an algal metabolite. It is functionally related to an adenosine.
2D Structure
Properties
C11H15N5O3S
Molecular Formula
297.34
Molecular Weight
g/mol
297.0896
Exact Mass
Da
-0.3
XLogP
Drug-like (Lipinski: < 5)
145
TPSA
May have limited oral absorption
3
H-Bond Donors
8
H-Bond Acceptors
352
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Methylthioadenosine5'-methylthioadenosine5'-S-methyl-5'-thioadenosine5'-Deoxy-5'-(methylthio)adenosine5'-DEOXY-5'-METHYLTHIOADENOSINE5'-(Methylthio)adenosineS-methyl-5'-thioadenosine5'-S-MethylthioadenosineVitamin L(sub 2)5'-Deoxy(methylthio)adenosineNSC 335422UNII-634Z2VK3UQ5'-S-methyl-5'-thio-AdenosineDTXSID20179308S-methyl-5-thioadenosine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Methylthioadenosine
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