The detailed description of a substance, typically at a level beyond what is used for prescribing.

SubstanceSpecification
identifier
Identifier by which this substance is known
type
High level categorization, e.g. polymer or nucleic acid
status
Status of substance within the catalogue e.g. approved
domain
If the substance applies to only human or veterinary use
description
Textual description of the substance
source
Supporting literature
comment
Textual comment about this record of a substance
moiety
Moiety, for structural modifications
role
Role that the moiety is playing
identifier
Identifier by which this moiety substance is known
name
Textual name for this moiety substance
stereochemistry
Stereochemistry type
opticalActivity
Optical activity type
molecularFormula
Molecular formula
amount[x]
Quantitative value for this moiety
property
General specifications for this substance, including how it is related to other substances
category
A category for this property, e.g. Physical, Chemical, Enzymatic
code
Property type e.g. viscosity, pH, isoelectric point
parameters
Parameters that were used in the measurement of a property (e.g. for viscosity: measured at 20C with a pH of 7.1)
definingSubstance[x]
A substance upon which a defining property depends (e.g. for solubility: in water, in alcohol)
amount[x]
Quantitative value for this property
referenceInformation
General information detailing this substance
structure
Structural information
stereochemistry
Stereochemistry type
opticalActivity
Optical activity type
molecularFormula
Molecular formula
molecularFormulaByMoiety
Specified per moiety according to the Hill system, i.e. first C, then H, then alphabetical, each moiety separated by a dot
isotope
Applicable for single substances that contain a radionuclide or a non-natural isotopic ratio
identifier
Substance identifier for each non-natural or radioisotope
name
Substance name for each non-natural or radioisotope
substitution
The type of isotopic substitution present in a single substance
halfLife
Half life - for a non-natural nuclide
molecularWeight
The molecular weight or weight range (for proteins, polymers or nucleic acids)
method
The method by which the molecular weight was determined
type
Type of molecular weight such as exact, average (also known as. number average), weight average
amount
Used to capture quantitative values for a variety of elements. If only limits are given, the arithmetic mean would be the average. If only a single definite value for a given element is given, it would be captured in this field
molecularWeight
The molecular weight or weight range (for proteins, polymers or nucleic acids)
source
Supporting literature
representation
Molecular structural representation
type
The type of structure (e.g. Full, Partial, Representative)
representation
The structural representation as text string in a format e.g. InChI, SMILES, MOLFILE, CDX
attachment
An attached file with the structural representation
code
Codes associated with the substance
code
The specific code
status
Status of the code assignment
statusDate
The date at which the code status is changed as part of the terminology maintenance
comment
Any comment can be provided in this field, if necessary
source
Supporting literature
name
Names applicable to this substance
name
The actual name
type
Name type
status
The status of the name
preferred
If this is the preferred name for this substance
domain
The use context of this name for example if there is a different name a drug active ingredient as opposed to a food colour additive
jurisdiction
The jurisdiction where this name applies
synonym
A synonym of this name
translation
A translation for this name
official
Details of the official nature of this name
authority
Which authority uses this official name
status
The status of the official name
date
Date of official name change
source
Supporting literature
molecularWeight
The molecular weight or weight range (for proteins, polymers or nucleic acids)
relationship
A link between this substance and another, with details of the relationship
substance[x]
A pointer to another substance, as a resource or just a representational code
relationship
For example "salt to parent", "active moiety", "starting material"
isDefining
For example where an enzyme strongly bonds with a particular substance, this is a defining relationship for that enzyme, out of several possible substance relationships
amount[x]
A numeric factor for the relationship, for instance to express that the salt of a substance has some percentage of the active substance in relation to some other
amountRatioLowLimit
For use when the numeric
amountType
An operator for the amount, for example "average", "approximately", "less than"
source
Supporting literature
nucleicAcid
Data items specific to nucleic acids
polymer
Data items specific to polymers
protein
Data items specific to proteins
sourceMaterial
Material or taxonomic/anatomical source for the substance