Ontology highlight
ABSTRACT:
SUBMITTER: Glaser R
PROVIDER: S-EPMC2441498 | biostudies-literature | 2006 Jul
REPOSITORIES: biostudies-literature
Glaser Rainer R Wu Hong H von Saint Paul Francisca F
Journal of molecular modeling 20060113 5
Uracil has long been known as the main product of nitrosative cytosine deamination in aqueous solution. Recent mechanistic studies of cytosinediazonium ion suggest that the cation formed by its dediazoniation can ring-open to N-protonated (Z,s-cis)-3-isocyanatoacrylonitrile 7. Stereochemical preferences are discussed of the 3-isocyanatoacrylonitriles (Z,s-cis)-10, (E,s-cis)-11, (Z,s-trans)-12, and (E,s-trans)-13. The electronic structures of 7 and 10-13 have been analyzed and a rationale is prov ...[more]