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Crystal and molecular structure of sym-homospermidine monohydrate

Ramaswamy, S and Murthy, MRN (1991) Crystal and molecular structure of sym-homospermidine monohydrate. In: Indian Journal of Biochemistry & Biophysics, 28 (5-6). pp. 504-512.

Full text not available from this repository.
Official URL: http://www.ncbi.nlm.nih.gov/pubmed/1812090

Abstract

Sym-homospermidine, [formula; see text] is a naturally occurring rare-polyamine found in relatively large concentration in sandal leaves. As part of our studies on structure and interactions of polyamines, ym-homospermidine was purified from sandal leaves and its structure was determined by single crystal X-ray diffraction technique. The phosphate salt of the molecule crystallized in the triclinic space group P1- with a = 8.246(1)A, b = 8.775(1)A, c = 15.531(2)A, alpha = 74.20(1) degrees, beta = 88.36(1) degrees and gamma = 65.41(1) degrees. The structure was determined by direct methods and refined to a final R factor of 5.4% for 2087 reflections with magnitude of F(obs) greater than 5 sigma [F(obs)]. The amine exists in its most favourable all trans conformation. For each amine molecule three phosphate groups exist in the crystal structure, suggesting that two of the oxygens of each phosphate group are protonated. There is also a single water molecule in the asymmetric unit in contrast to that of spermidine phosphate which has 3 water molecules. These differences probably reflect the hydrogen bonding properties of mono-ionic and di-ionic phosphate groups. The structure is predominantly stabilized by a network of hydrogen bonds.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to National Institute of Science Communication and Information Resources.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 16 Nov 2010 08:35
Last Modified: 16 Nov 2010 08:35
URI: http://eprints.iisc.ernet.in/id/eprint/33723

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