Drug Information

Drug General Information
Drug ID
D0B0QY
Former ID
DNC008920
Drug Name
5(E)-(5'-Deoxyadenosin-5'-ylidene)pentanoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529453]
Structure
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2D MOL

3D MOL
Formula
C15H19N5O5
Canonical SMILES
C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C=CCCCC(=O)O)O)O
InChI
1S/C15H19N5O5/c16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)8(25-15)4-2-1-3-5-9(21)22/h2,4,6-8,11-12,15,23-24H,1,3,5H2,(H,21,22)(H2,16,17,18)/b4-2+/t8-,11-,12-,15-/m1/s1
InChIKey
HAGCQDHTBHGTQC-VLCWARKCSA-N
PubChem Compound ID
44576817
Target and Pathway
Target(s) Adenosylhomocysteinase Target Info Inhibitor [529453]
BioCyc Pathway Superpathway of methionine degradation
Methionine degradation
Cysteine biosynthesis
KEGG Pathway Cysteine and methionine metabolism
Metabolic pathways
PathWhiz Pathway Selenoamino Acid Metabolism
Betaine Metabolism
Methionine Metabolism
WikiPathways Metabolism of amino acids and derivatives
Trans-sulfuration and one carbon metabolism
One Carbon Metabolism
Trans-sulfuration pathway
Phase II conjugation
Folate Metabolism
References
Ref 529453Bioorg Med Chem. 2008 May 15;16(10):5424-33. Epub 2008 Apr 12.Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl unit.
Ref 529453Bioorg Med Chem. 2008 May 15;16(10):5424-33. Epub 2008 Apr 12.Synthesis of 5'-functionalized nucleosides: S-Adenosylhomocysteine analogues with the carbon-5' and sulfur atoms replaced by a vinyl or halovinyl unit.

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