Skip to main content

Table 2 Description of organosulfur overlapping clusters comprised of structurally similar sulfur-containing compounds (SCCs)

From: Chemoinformatics-driven classification of Angiosperms using sulfur-containing compounds and machine learning algorithm

Clusters

Class

SCCs

Description

2

Terpenoid (T), Steroid (S)

Prototribestin (S), Rotundioside A, B, J, K (T), Bacopaside I, III (T), Zygophyloside O, P (T), Tribestin (T), Sandrosaponin II, III, V, VI, VIII (T), Bacopaside VI (T)

Known as saponin compounds

9

Amino acid (AA), Organosulfur (O)

L-S-methylcysteine (AA), L-Cysteine (AA), D-Cysteine (AA), Dimethyl di-, tri-sulfide (O), Methyl allyl disulfide (O), Methyl mercaptan (O), Propanethial S-oxide (O), Hydrogen sulfide (O)

Metabolite from continuous sets of reaction steps in alliin metabolism

23

Phytoalexin (P), Organosulfur (O)

3-Indolylmethylthiohydroximate (O), Methoxybrassinin (P), Brassinin (P), Brassitin (P), Sinalexin (P), Brassicanal A, B, C (P), Brassilexin (P)

Known as indole compounds

29

Organosulfur (O), Isothiocyanate (I), Amino acid (AA)

Hexahomomethionine (AA), (R)-8-Methylsulfinyloctyl isothiocyanate (I), 2-Oxo-10-methylthiodecaonoic acid (O), 9-Methylthiononanaldoxime (O)

Metabolite from continuous sets of reaction steps in glucosinolate biosynthesis

30

Organosulfur (O), Isothiocyanate (I), Amino acid (AA)

Pentahomomethionine (AA), (R)-7-Methylsulfinyl heptyl isothiocyanate (I), 2-Oxo-9-methylthiononanoic acid (O), 8-Methylthiooctanaldoxime (O)

Metabolite from continuous sets of reaction steps in glucosinolate biosynthesis

33

Alkaloid (A), Organosulfur (O), Amino acid (AA)

Aglatenol (A), Dihomomethionine (AA), 2-Oxo-6-methylthiohexanoic acid (O), 5-Methylsufinylpentyl nitrile (O)

Unknown. Related according to a similar structure

38

Amino acid (AA), Organosulfur (O)

Alliin (AA), Asparagusic acid syn-S-oxide (O), Asparagusic acid anti-S-oxide (O)

Known as thiosulfinate compounds

39

Amino acid (AA), Organosulfur (O)

L-Methionine (AA), Propane-1-thiol (O), Homocysteine (AA)

Probably involved in glutathione-mediated detoxification I and II pathways

40

Amino acid (AA), Organosulfur (O)

Tetrahomomethionine (AA), 6-Methylthiohexanaldoxime (O), 2-Oxo-8-methylthiooctanoic acid (O)

Metabolite from continuous sets of reaction steps in glucosinolate biosynthesis

44

Phytoalexin (P), Glucosinolate (G)

Sinalbin A, B (G), Cyclobrassinin (P)

Known as indole compounds

92

Alkaloid (A), Phytoalexin (P)

Dithyreanitrile (A), Rapalexin A (P)

The final product of indole compound degradation