Molecular Interaction Map - ChemicalStructure - Classes | NCBO BioPortal

Molecular Interaction Map

Last uploaded: October 30, 2014

Id	http://www.biopax.org/release/biopax-level3.owl#ChemicalStructure http://www.biopax.org/release/biopax-level3.owl#ChemicalStructure
Preferred Name	ChemicalStructure
Definitions	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 www.xml-cml.org), the SMILES format (see 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)'.
Type	http://www.w3.org/2002/07/owl#Class

definition	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 www.xml-cml.org), the SMILES format (see 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)'.
prefLabel	ChemicalStructure
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 www.xml-cml.org), the SMILES format (see 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)'.
prefixIRI	ChemicalStructure
subClassOf	http://www.biopax.org/release/biopax-level3.owl#UtilityClass
type	http://www.w3.org/2002/07/owl#Class
disjointWith	http://www.biopax.org/release/biopax-level3.owl#EntityReference http://www.biopax.org/release/biopax-level3.owl#PathwayStep http://www.biopax.org/release/biopax-level3.owl#ControlledVocabulary http://www.biopax.org/release/biopax-level3.owl#Xref http://www.biopax.org/release/biopax-level3.owl#Score http://www.biopax.org/release/biopax-level3.owl#DeltaG http://www.biopax.org/release/biopax-level3.owl#Evidence http://www.biopax.org/release/biopax-level3.owl#Stoichiometry http://www.biopax.org/release/biopax-level3.owl#SequenceLocation http://www.biopax.org/release/biopax-level3.owl#EntityFeature http://www.biopax.org/release/biopax-level3.owl#Provenance http://www.biopax.org/release/biopax-level3.owl#KPrime http://www.biopax.org/release/biopax-level3.owl#ExperimentalForm See more See less

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