Definition: The chemical structure of a small molecule. Usage: Structure information is stored in the property structureData, in one of three formats: the CML format (see URL www.xml-cml.org), the SMILES format (see URL www.daylight.com/dayhtml/smiles/) or the InChI format (http://www.iupac.org/inchi/). The structureFormat property specifies which format is used. Examples: The following SMILES string describes the structure of glucose-6-phosphate: 'C(OP(=O)(O)O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)'.
Source:http://www.biopax.org/release/biopax-level3.owl#ChemicalStructure
| Predicate | Object |
|---|---|
| rdf:type | |
| rdfs:comment |
Definition: The chemical structure of a small molecule.
Usage: Structure information is stored in the property structureData, in one of three formats: the CML format (see URL www.xml-cml.org), the SMILES format (see URL www.daylight.com/dayhtml/smiles/) or the InChI format (http://www.iupac.org/inchi/). The structureFormat property specifies which format is used.
Examples: The following SMILES string describes the structure of glucose-6-phosphate:
'C(OP(=O)(O)O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)'.,
Definition: The chemical structure of a small molecule.
Usage: Structure information is stored in the property structureData, in one of three formats: the CML format (see URL www.xml-cml.org), the SMILES format (see URL www.daylight.com/dayhtml/smiles/) or the InChI format (http://www.iupac.org/inchi/). The structureFormat property specifies which format is used.
Examples: The following SMILES string describes the structure of glucose-6-phosphate:
'C(OP(=O)(O)O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)'.,
Definition: The chemical structure of a small molecule.
Usage: Structure information is stored in the property structureData, in one of three formats: the CML format (see URL www.xml-cml.org), the SMILES format (see URL www.daylight.com/dayhtml/smiles/) or the InChI format (http://www.iupac.org/inchi/). The structureFormat property specifies which format is used.
Examples: The following SMILES string describes the structure of glucose-6-phosphate:
'C(OP(=O)(O)O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)'.
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| owl:disjointWith |
biopax3:BioSource,
biopax3:BioSource,
biopax3:BioSource,
biopax3:ControlledVocabulary,
biopax3:ControlledVocabulary,
biopax3:ControlledVocabulary,
biopax3:DeltaG,
biopax3:DeltaG,
biopax3:DeltaG,
biopax3:EntityFeature,
biopax3:EntityFeature,
biopax3:EntityFeature,
biopax3:EntityReference,
biopax3:EntityReference,
biopax3:EntityReference,
biopax3:Evidence,
biopax3:Evidence,
biopax3:Evidence,
biopax3:ExperimentalForm,
biopax3:ExperimentalForm,
biopax3:ExperimentalForm,
biopax3:KPrime,
biopax3:KPrime,
biopax3:KPrime,
biopax3:PathwayStep,
biopax3:PathwayStep,
biopax3:PathwayStep,
biopax3:Provenance,
biopax3:Provenance,
biopax3:Provenance,
biopax3:Score,
biopax3:Score,
biopax3:Score,
biopax3:SequenceLocation,
biopax3:SequenceLocation,
biopax3:SequenceLocation,
biopax3:Stoichiometry,
biopax3:Stoichiometry,
biopax3:Stoichiometry,
biopax3:Xref,
biopax3:Xref,
biopax3:Xref
|
| rdfs:subClassOf |