The use of clustering techniques in the elucidation or confirmation of metabolic pathways. Application to the branched-chain fatty acids present in the milk fat of lactating goats.

The aim of this paper is 2-fold. (1) To propose the use of a group of mathematical techniques, called clustering, in the elucidation of complex metabolic relationships. (2) To apply clustering for the identification of related groups of saturated fatty acids having a common metabolic pathway for their biosynthesis in the milk fat of lactating goats. In this way, four groups of branched-chain fatty acids and two groups of straight-chain fatty acids are identified; the odd-numbered iso-, the even-numbered iso-, the anteiso-acids and the branched-chain fatty acids with methyl substitution in the chain, the odd-numbered straight-chain and the even-numbered straight-chain fatty acids. The long-chain fatty acids are not part of any group. The different metabolic pathways for their biosynthesis are discussed. From the results, it is concluded that clustering is indeed a potentially useful tool in the study of complex metabolic relationships.