Attribute
|
Type
|
Multiplicity
|
Description
|
baseGlycoCtCode
|
String
|
0..1
|
base glycoCT description code. For carbohydrates. The full glycoCtCode is only defined at the ChemCompVar level, but htis gives the base code that is exanded on in the vars.
|
beilsteinCode
|
Word
|
0..1
|
Beilstein compound code
|
casRegCode
|
Word
|
0..1
|
CAS code
|
ccpCode
|
LongWord
|
1..1
|
ccp Code of ChemComp. Part of the class key
|
code1Letter
|
Word
|
1..1
|
One letter code, defined only for standard chem comps. For each molType there must be only one StdChemComp with a given oneLetterCode. This constraint is not checked by the model, as it would entail looping over all ChemComps whenever a check was made.
|
code3Letter
|
ThreeLetterCode
|
0..1
|
PDB three letter code of ChemComp.
|
commonNames
|
Text
|
0..*
|
Common names of ChemComp
|
details
|
Text
|
0..1
|
Free text, for notes, explanatory comments, etc.
|
hasStdChirality
|
Boolean
|
0..1
|
Does ChemComp have standard chirality? Serves to flag molecules containing ChemComps with non-standard chirality, such as D amino acids. Note that the attribute may not be set, for cases where no standard is defined.
|
isLinearPolymer
|
Boolean
|
1..1
|
Derived. Is ChemComp a component of a linear polymer?
|
keywords
|
Line
|
0..*
|
Keywords for searching ChemComp. E.g. 'saccharide', ...
|
merckCode
|
Word
|
0..1
|
Merck compound code
|
molType
|
MolType
|
1..1
|
molecule Type of ChemComp (part of the class key)
|
name
|
Text
|
0..1
|
name of AbstractChemComp
|
sigmaAldrichCode
|
Word
|
0..1
|
SigmaAldrich compound code
|
stdChemCompCode
|
LongWord
|
1..1
|
|
Inherited Attributes (not in package):
applicationData,
className,
createdBy,
fieldNames,
guid,
inConstructor,
isDeleted,
isLoaded,
isModifiable,
isModified,
isReading,
lastUnlockedBy,
metaclass,
packageName,
packageShortName,
qualifiedName
|