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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.