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Table 1 Enriched fragments with SMILES code, IUPAC name, chemical structure, and source (organism)

From: Identifying enriched drug fragments as possible candidates for metabolic engineering

Enriched fragment IUPAC name Structure Source
CCCc1ccc(cc1)O 4-Propylphenol Brassica napus (Rapeseed)
CCCCCCCCCCCC Dodecane Pisum sativum (pea)
CCCCCCCCC(=O)O Nonanoic acid Pisum sativum (pea)
C(=O)CCCC[N+] 5-Amino pentanal Arabidopsis thaliana (thale cress)
O=c1[nH]c(=O)c2c(n1C)nc[nH]2 Caffeine Camellia irrawadiensis
OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N L-Tryptophan Sinapis alba (white mustard)
C/C=C/c1ccccc1 Styrene Saccharomyces Cerevisiae (budding yeast)
Cc1c[nH]c(=O)[nH]c1=O Thymine Rhodotorula glutinis
O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)C)C(=O)O 3-Methyl-7-aminoceph-3-em-4-carboxylic acid Acremonium chrysogenum