MetaCyc Compound: 2'-deoxycoformycin

Synonyms: pentostatin, deoxycoformycin, Covidarabine, Oncopent, Vidarbine, Coforin, Nipent (TN)

Chemical Formula: C11H17N4O4

Molecular Weight: 269.28 Daltons

Monoisotopic Molecular Weight: 269.1249800549 Daltons

2'-deoxycoformycin compound structure

SMILES: C1(C(C(CO)OC1N3(C=NC2(C(CNC=[N+]C=23)O)))O)

InChI: InChI=1S/C11H16N4O4/c16-3-8-6(17)1-9(19-8)15-5-14-10-7(18)2-12-4-13-11(10)15/h4-9,16-18H,1-3H2,(H,12,13)/p+1/t6-,7+,8+,9+/m0/s1


Unification Links: ChEBI:553578, HMDB:HMDB14692, KEGG:C02267, PubChem:54758585

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 104.146996Inferred by computational analysis [Latendresse13]

Enzymes inhibited by 2'-deoxycoformycin, sorted by the type of inhibition, are:

Inhibitor (Mechanism unknown) of: adenine deaminase [Downie08], adenosine deaminase [IwakiEgawa02]

Created 20-Oct-2009 by Fulcher CA, SRI International


Downie08: Downie MJ, Kirk K, Mamoun CB (2008). "Purine salvage pathways in the intraerythrocytic malaria parasite Plasmodium falciparum." Eukaryot Cell 7(8);1231-7. PMID: 18567789

IwakiEgawa02: Iwaki-Egawa S, Watanabe Y (2002). "Characterization and purification of adenosine deaminase 1 from human and chicken liver." Comp Biochem Physiol B Biochem Mol Biol 133(2);173-82. PMID: 12381379

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 19.5 on Fri Nov 27, 2015, BIOCYC13A.