Class: ChemicalStructure
http://www.biopax.org/release/biopax-level3.owl#ChemicalStructure
Annotations (1)
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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)'." (string)
Superclasses (3)
Disjoints (14)
BioSource,
ControlledVocabulary,
DeltaG,
EntityFeature,
EntityReference,
Evidence,
ExperimentalForm,
KPrime,
PathwayStep,
Provenance,
Score,
SequenceLocation,
Stoichiometry,
Xref
Usage (4)