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Table 3 A representative sample from the list of ChEBI classes used in the analysis

From: Structure-based classification and ontology in chemistry

ChEBI ID Name Definition
CHEBI:50860 organic molecular entity A molecular entity that contains carbon.
CHEBI:50047 organic amino compound A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups.
CHEBI:51690 enaminone A compound containing a conjugated system of an amine, an alkene and a ketone.
CHEBI:33567 catecholamine 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution.
CHEBI:33860 aromatic amine An amine in which the amino group is linked directly to an aromatic system.
CHEBI:51349 polyamine macromolecule A macromolecule composed of units connected by imino (−NR-) linkages.
CHEBI:51402 phenylenediamine A benzene substituted with two amino groups.
CHEBI:59654 prolinols The class of all compounds which contain a prolinol skeleton.
CHEBI:33709 amino acid A carboxylic acid containing one or more amino groups.
CHEBI:60249 lead ion A lead atom having a net electric charge.
CHEBI:58941 cyclic tetrapyrrole anion An organic anion arising from deprotonation of a cyclic tetrapyrrole compound.
CHEBI:2580 unsaturated fatty acid anion Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety.
CHEBI:58955 branched-chain fatty acid anion Any fatty acid anion with a carbon side-chain or isopropyl termination.
CHEBI:33598 carbocyclic compound A cyclic compound in which all of the ring members are carbon atoms.
CHEBI:33658 arene Any monocyclic or polycyclic aromatic hydrocarbon.
CHEBI:33847 monocyclic arene A monocyclic aromatic hydrocarbon.
CHEBI:38976 alkylbenzene Benzene substituted with one or more alkyl groups.
CHEBI:35302 helicene ortho-Fused polycyclic arenes in which all rings (minimum five) are angularly arranged so as to give helically shaped molecules.
CHEBI:51198 calixarene A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the n in calix[n]arene name.
CHEBI:33612 polyhedrane A polycyclic hydrocarbon of the (CH) n formula having a skeleton corresponding to the regular or semiregular geometrical solid.
CHEBI:36786 tetralins Compounds containing a tetralin skeleton.
CHEBI:50961 rotaxane A system in which at least one macrocycle encloses another, rod-like molecule (shaft) having end groups too large to pass through the ring opening, and thus holds the rod-like molecule in position without covalent bonding.
CHEBI:51269 acenes Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives.
CHEBI:51586 benzoins Compounds containing a benzoin (2-hydroxy-1,2-diphenylethanone) skeleton.
CHEBI:51614 diarylmethane Any compound containing two aryl groups connected by a single C atom.