Table 4.
Relationships in ChEBI ontology.
| Relationships in ChEBI ontology | |||
|---|---|---|---|
| Relationship | Symbol | Description | Example |
| is a | Δ | Relationship between more specific and more general concepts. | (R)-lactate (CHEBI:16004) is a lactate (CHEBI:24996) |
| is part of | ⋄ | Relationship between part and whole. | tetracyanonickelate(2−) (CHEBI:30025) is part of potassium tetracyanonickelate(2−) (CHEBI:30071) |
| is conjugate acid of |  |
A pair of relationships used to connect acids with their conjugate bases. | lactic acid (CHEBI:28358) is conjugate acid of lactate (CHEBI:24996) |
| is conjugate base of |  |
lactate (CHEBI:24996) is conjugate base of lactic acid (CHEBI:28358) | |
| is tautomer of |  |
A cyclic relationship used to show the interrelationship between two tautomers. | 9H-purine (CHEBI:35589) is tautomer of 1H-purine (CHEBI:35586) |
| is enantiomer of |  |
A cyclic relationship used in instances when two entities are mirror images of and non-superposable upon each other. | d-cysteine (CHEBI:16375) is enantiomer of l-cysteine (CHEBI:17561) |
| has functional parent |  |
The relationship between two molecular entities (or classes of entities), one of which possesses one or more chacteristic groups from which the other can be derived by functional modification. | codeine (CHEBI:16714) has functional parent morphine (CHEBI:17303) |
| has parent hydride |  |
The relationship between an entity and its parent hydride. | perfluorodecane (CHEBI:38851) has parent hydride decane (CHEBI:32894) |
| is substituent group from |  |
The relationship between a substituent group (or atom) and its parent molecular entity, from which it is formed by loss of one or more protons or simple groups such as hydroxy groups. | ethyl group (CHEBI:37807) is substituent group from ethane (CHEBI:23975) l-cysteino group (CHEBI:32448) is substituent group from l-cysteine (CHEBI:17561) |