Preferred Name

ChemicalStructure
Synonyms
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)'. Definition: The chemical structure of a small molecule. Usage: Structure information is stored in the property STRUCTURE-DATA, 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 STRUCTURE-FORMAT 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)'.

ID

http://www.biopax.org/release/biopax-level3.owl#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)'.

Definition: The chemical structure of a small molecule. Usage: Structure information is stored in the property STRUCTURE-DATA, 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 STRUCTURE-FORMAT 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

bp:ChemicalStructure

ChemicalStructure

prefLabel

ChemicalStructure

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

subClassOf

http://www.biopax.org/release/biopax-level3.owl#UtilityClass

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