Skip to main content

Table 2 The top 7 motifs within each pathway

From: Learning motif features and topological structure of molecules for metabolic pathway prediction

Pathway

Smiles

      

Carbohydrate

'OP'

'CO'

'O=P'

'C1CCO

CC1'

'CC'

'C=O'

'CN'

Energy

'OP'

'O=S'

'CS'

'CN'

'OS'

'[N+]=O'

'SS'

Lipid

'C1CC

CCC1'

CC'

'OP'

'C1CCC

C1'

'C=C'

'[2*]c'

'CN'

Nucleotide

'OP'

'c1cnc

nc1'

'c1c[nH]

cn1'

'CN'

'O=P'

'C1CC

OC1'

'cN'

Amino

'CN'

'OP'

'c1cccc

c1'

'cO'

'cC'

'CC'

'C=O'

Other amino

'CN'

'C[Se]'

'OP'

'CP'

'[C-]#

[N+]'

'CC'

'O[Se]'

Glycan

'OP'

'CN'

'O=P'

'C1CCO

CC1'

'c1cn

cnc1'

'CC'

'CO'

Cofactor/ vitamin

'cC'

'OP'

'c1ccnc

c1'

'CC'

'CN'

'c1cn

cnc1'

'cO'

Terpenoid/PK

'C=C'

'C1CC

CCC1'

'CC'

'OP'

'cO'

'c1cc

ccc1'

'C1=CC

CCC1'

Other secondary metabolite

'c1cc

ccc1'

'cO'

'c1ccoc

c1'

'CN'

'cC'

'C1CC

NCC1'

'c1c

[nH]cc1'

Xenobiotics

'c1cc

ccc1'

'cCl'

'CCl'

'cO'

'cC'

'cN'

'CN'