NMR-STAR dictionary: detail of ChemComp table

NMR-STAR dictionary: database table: ChemComp

Detailed description of the fields

_Chem_comp.Sf_category (SfCategory)

NMR-STAR tag name	_Chem_comp.Sf_category
Description	NMR-STAR name: _Chem_comp.Sf_category Category assigned to the information in the saveframe.
Database field name	SfCategory
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Prompt	Sf category
Examples	?
Help text

_Chem_comp.Sf_framecode (SfFramecode)

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NMR-STAR tag name	_Chem_comp.Sf_framecode
Description	NMR-STAR name: _Chem_comp.Sf_framecode A brief descriptive label that uniquely identifies this ligand, cofactor, non-standard residue, etc.
Database field name	SfFramecode
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Prompt	Brief chemical compound name or acronym (label)
Examples	NADP
Help text

_Chem_comp.Entry_ID (EntryID)

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NMR-STAR tag name	_Chem_comp.Entry_ID
Description	NMR-STAR name: _Chem_comp.Entry_ID Pointer to '_Entry.ID'
Database field name	EntryID
SQL Database type	CHAR(12)
Part of primary Key	yes
Foreign Key on table, column	Entry, ID
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Prompt	Entry ID
Examples	?
Help text

_Chem_comp.Sf_ID (SfID)

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NMR-STAR tag name	_Chem_comp.Sf_ID
Description	NMR-STAR name: _Chem_comp.Sf_ID An integer value that is the unique identifier for the saveframe that applies across the archive. This value is not stable and may be reassigned each time the data are loaded into a database system.
Database field name	SfID
SQL Database type	INTEGER
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	yes This field's data is for internal use only and should be hidden in public versiond of the data.
Nulls allowed in database?	yes
Prompt	Sf ID
Examples	?
Help text

_Chem_comp.ID (ChemCompID)

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NMR-STAR tag name	_Chem_comp.ID
Description	NMR-STAR name: _Chem_comp.ID A code that uniquely identifies the chemical component from all other chemical components in the entry.
Database field name	ChemCompID
SQL Database type	CHAR(12)
Part of primary Key	yes
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Prompt	ID
Examples	?
Help text

_Chem_comp.Provenance (Provenance)

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NMR-STAR tag name	_Chem_comp.Provenance
Description	NMR-STAR name: _Chem_comp.Provenance ?
Database field name	Provenance
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Enumerations	[click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt	Provenance
Examples	BMRB
Help text

_Chem_comp.Name (Name)

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NMR-STAR tag name	_Chem_comp.Name
Description	NMR-STAR name: _Chem_comp.Name A common name for the chemical component or residue.
Database field name	Name
SQL Database type	VARCHAR(4096)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Prompt	Ligand or chemical component name
Examples	NADP
Help text

_Chem_comp.Type (Type)

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NMR-STAR tag name	_Chem_comp.Type
Description	NMR-STAR name: _Chem_comp.Type Chemical components can be of two molecular types either a complete chemical compound or a fragment of a complete chemical compound.
Database field name	Type
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	yes
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Type of chemical compound
Examples	L-peptide linking
Help text

_Chem_comp.BMRB_code (BMRBCode)

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NMR-STAR tag name	_Chem_comp.BMRB_code
Description	NMR-STAR name: _Chem_comp.BMRB_code Twelve character code assigned to the chemical component by BMRB.
Database field name	BMRBCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	BMRB code
Examples	?
Help text

_Chem_comp.PDB_code (PDBCode)

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NMR-STAR tag name	_Chem_comp.PDB_code
Description	NMR-STAR name: _Chem_comp.PDB_code Please enter the PDB three-letter chemical component ID for the ligand or other chemical component. The code can be obtained from the PDB ligand depot. If a PDB code is found and entered for the component, little additional information is required for a BMRB deposition.
Database field name	PDBCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Please check the PDB Ligand Depot for a chemical component ID. Enter the three-letter ID in the field below and save the form.
PDB chemical component ID
Examples	ALA
Help text

_Chem_comp.Ambiguous_flag (AmbiguousFlag)

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NMR-STAR tag name	_Chem_comp.Ambiguous_flag
Description	NMR-STAR name: _Chem_comp.Ambiguous_flag ?
Database field name	AmbiguousFlag
SQL Database type	VARCHAR(3)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Ambiguous flag
Examples	?
Help text

_Chem_comp.Initial_date (InitialDate)

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NMR-STAR tag name	_Chem_comp.Initial_date
Description	NMR-STAR name: _Chem_comp.Initial_date ?
Database field name	InitialDate
SQL Database type	DATETIME year to day
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Initial date
Examples	?
Help text

_Chem_comp.Modified_date (ModifiedDate)

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NMR-STAR tag name	_Chem_comp.Modified_date
Description	NMR-STAR name: _Chem_comp.Modified_date ?
Database field name	ModifiedDate
SQL Database type	DATETIME year to day
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Modified date
Examples	?
Help text

_Chem_comp.Release_status (ReleaseStatus)

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NMR-STAR tag name	_Chem_comp.Release_status
Description	NMR-STAR name: _Chem_comp.Release_status ?
Database field name	ReleaseStatus
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Release status
Examples	?
Help text

_Chem_comp.Replaced_by (ReplacedBy)

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NMR-STAR tag name	_Chem_comp.Replaced_by
Description	NMR-STAR name: _Chem_comp.Replaced_by ?
Database field name	ReplacedBy
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Replaced by
Examples	?
Help text

_Chem_comp.Replaces (Replaces)

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NMR-STAR tag name	_Chem_comp.Replaces
Description	NMR-STAR name: _Chem_comp.Replaces ?
Database field name	Replaces
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Replaces
Examples	?
Help text

_Chem_comp.One_letter_code (OneLetterCode)

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NMR-STAR tag name	_Chem_comp.One_letter_code
Description	NMR-STAR name: _Chem_comp.One_letter_code ?
Database field name	OneLetterCode
SQL Database type	CHAR(1)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	One letter code
Examples	?
Help text

_Chem_comp.Three_letter_code (ThreeLetterCode)

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NMR-STAR tag name	_Chem_comp.Three_letter_code
Description	NMR-STAR name: _Chem_comp.Three_letter_code ?
Database field name	ThreeLetterCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Three letter code
Examples	?
Help text

_Chem_comp.Number_atoms_all (NumberAtomsAll)

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NMR-STAR tag name	_Chem_comp.Number_atoms_all
Description	NMR-STAR name: _Chem_comp.Number_atoms_all ?
Database field name	NumberAtomsAll
SQL Database type	INTEGER
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Number atoms all
Examples	?
Help text

_Chem_comp.Number_atoms_nh (NumberAtomsNh)

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NMR-STAR tag name	_Chem_comp.Number_atoms_nh
Description	NMR-STAR name: _Chem_comp.Number_atoms_nh ?
Database field name	NumberAtomsNh
SQL Database type	INTEGER
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Number atoms nh
Examples	?
Help text

_Chem_comp.PubChem_code (PubChemCode)

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NMR-STAR tag name	_Chem_comp.PubChem_code
Description	NMR-STAR name: _Chem_comp.PubChem_code Please enter the PubChem Substance ID for the chemical compound. If a PubChem substance ID is found and entered for the component, BMRB will be able to complete the remaining mandatory fields required to describe the chemical compound.
Database field name	PubChemCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	PubChem Substance ID
Examples	33768
Help text

_Chem_comp.Subcomponent_list (SubcomponentList)

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NMR-STAR tag name	_Chem_comp.Subcomponent_list
Description	NMR-STAR name: _Chem_comp.Subcomponent_list ?
Database field name	SubcomponentList
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Subcomponent list
Examples	TSM DPH HIS CHF EMR
Help text

_Chem_comp.InCHi_code (InCHiCode)

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NMR-STAR tag name	_Chem_comp.InCHi_code
Description	NMR-STAR name: _Chem_comp.InCHi_code Enter the InCHi code that uniquely describes the chemical structure of the compound.
Database field name	InCHiCode
SQL Database type	VARCHAR(1024)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	InCHi code
Examples	?
Help text

_Chem_comp.Mon_nstd_flag (MonNstdFlag)

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NMR-STAR tag name	_Chem_comp.Mon_nstd_flag
Description	NMR-STAR name: _Chem_comp.Mon_nstd_flag A flag defining the non-standard status of the chemical component. A value of Y indicates that the compound is a standard molecule.
Database field name	MonNstdFlag
SQL Database type	VARCHAR(3)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Standard residue
Examples	yes
Help text

_Chem_comp.Mon_nstd_class (MonNstdClass)

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NMR-STAR tag name	_Chem_comp.Mon_nstd_class
Description	NMR-STAR name: _Chem_comp.Mon_nstd_class ?
Database field name	MonNstdClass
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Mon nstd class
Examples	iodinated base
Help text

_Chem_comp.Mon_nstd_details (MonNstdDetails)

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NMR-STAR tag name	_Chem_comp.Mon_nstd_details
Description	NMR-STAR name: _Chem_comp.Mon_nstd_details ?
Database field name	MonNstdDetails
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Mon nstd details
Examples	?
Help text

_Chem_comp.Mon_nstd_parent (MonNstdParent)

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NMR-STAR tag name	_Chem_comp.Mon_nstd_parent
Description	NMR-STAR name: _Chem_comp.Mon_nstd_parent ?
Database field name	MonNstdParent
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Mon nstd parent
Examples	?
Help text

_Chem_comp.Mon_nstd_parent_comp_ID (MonNstdParentCompID)

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NMR-STAR tag name	_Chem_comp.Mon_nstd_parent_comp_ID
Description	NMR-STAR name: _Chem_comp.Mon_nstd_parent_comp_ID ?
Database field name	MonNstdParentCompID
SQL Database type	VARCHAR(1024)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Mon nstd parent comp ID
Examples	?
Help text

_Chem_comp.Std_deriv_one_letter_code (StdDerivOneLetterCode)

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NMR-STAR tag name	_Chem_comp.Std_deriv_one_letter_code
Description	NMR-STAR name: _Chem_comp.Std_deriv_one_letter_code The one letter code for the standard monomer from which the chemical component is derived.
Database field name	StdDerivOneLetterCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Std deriv one letter code
Examples	Y
Help text

_Chem_comp.Std_deriv_three_letter_code (StdDerivThreeLetterCode)

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NMR-STAR tag name	_Chem_comp.Std_deriv_three_letter_code
Description	NMR-STAR name: _Chem_comp.Std_deriv_three_letter_code The three letter code for the standard monomer from which the chemical component is derived.
Database field name	StdDerivThreeLetterCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Std deriv three letter code
Examples	TYR
Help text

_Chem_comp.Std_deriv_BMRB_code (StdDerivBMRBCode)

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NMR-STAR tag name	_Chem_comp.Std_deriv_BMRB_code
Description	NMR-STAR name: _Chem_comp.Std_deriv_BMRB_code The BMRB code for the standard monomer from which the chemical component is derived.
Database field name	StdDerivBMRBCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Std deriv BMRB code
Examples	?
Help text

_Chem_comp.Std_deriv_PDB_code (StdDerivPDBCode)

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NMR-STAR tag name	_Chem_comp.Std_deriv_PDB_code
Description	NMR-STAR name: _Chem_comp.Std_deriv_PDB_code The PDB code for the standard monomer from which the chemical component is derived.
Database field name	StdDerivPDBCode
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Std deriv PDB code
Examples	?
Help text

_Chem_comp.Std_deriv_chem_comp_name (StdDerivChemCompName)

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NMR-STAR tag name	_Chem_comp.Std_deriv_chem_comp_name
Description	NMR-STAR name: _Chem_comp.Std_deriv_chem_comp_name The name of the standard chemical component from which the chemical component was derived.
Database field name	StdDerivChemCompName
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Std deriv chem comp name
Examples	?
Help text

_Chem_comp.Synonyms (Synonyms)

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NMR-STAR tag name	_Chem_comp.Synonyms
Description	NMR-STAR name: _Chem_comp.Synonyms ?
Database field name	Synonyms
SQL Database type	VARCHAR(1024)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Synonyms
Examples	?
Help text

_Chem_comp.Formal_charge (FormalCharge)

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NMR-STAR tag name	_Chem_comp.Formal_charge
Description	NMR-STAR name: _Chem_comp.Formal_charge The formal electrical charge on the chemical compound.
Database field name	FormalCharge
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt	Formal charge on the compound
Examples	2+
Help text

_Chem_comp.Paramagnetic (Paramagnetic)

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NMR-STAR tag name	_Chem_comp.Paramagnetic
Description	NMR-STAR name: _Chem_comp.Paramagnetic A boolean flag that defines the paramagnetic status of the chemical component.
Database field name	Paramagnetic
SQL Database type	VARCHAR(3)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Is the compound paramagnetic
Examples	yes
Help text

_Chem_comp.Aromatic (Aromatic)

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NMR-STAR tag name	_Chem_comp.Aromatic
Description	NMR-STAR name: _Chem_comp.Aromatic A boolean flag that defines the aromatic status of the chemical component.
Database field name	Aromatic
SQL Database type	VARCHAR(3)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Is the compound aromatic
Examples	no
Help text

_Chem_comp.Formula (Formula)

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NMR-STAR tag name	_Chem_comp.Formula
Description	NMR-STAR name: _Chem_comp.Formula The empirical chemical formula for the chemical component.
Database field name	Formula
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Empirical formula for the compound
Examples	C9 H11 N O3
Help text

_Chem_comp.Formula_weight (FormulaWeight)

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NMR-STAR tag name	_Chem_comp.Formula_weight
Description	NMR-STAR name: _Chem_comp.Formula_weight Formula mass in daltons of the chemical component.
Database field name	FormulaWeight
SQL Database type	FLOAT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Formula weight for the compound
Examples	181.19
Help text

_Chem_comp.Formula_mono_iso_wt_nat (FormulaMonoIsoWtNat)

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NMR-STAR tag name	_Chem_comp.Formula_mono_iso_wt_nat
Description	NMR-STAR name: _Chem_comp.Formula_mono_iso_wt_nat ?
Database field name	FormulaMonoIsoWtNat
SQL Database type	FLOAT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Formula mono iso wt nat
Examples
Help text

_Chem_comp.Formula_mono_iso_wt_13C (FormulaMonoIsoWt13C)

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NMR-STAR tag name	_Chem_comp.Formula_mono_iso_wt_13C
Description	NMR-STAR name: _Chem_comp.Formula_mono_iso_wt_13C ?
Database field name	FormulaMonoIsoWt13C
SQL Database type	FLOAT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Formula mono iso wt 13C
Examples
Help text

_Chem_comp.Formula_mono_iso_wt_15N (FormulaMonoIsoWt15N)

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NMR-STAR tag name	_Chem_comp.Formula_mono_iso_wt_15N
Description	NMR-STAR name: _Chem_comp.Formula_mono_iso_wt_15N ?
Database field name	FormulaMonoIsoWt15N
SQL Database type	FLOAT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Formula mono iso wt 15N
Examples
Help text

_Chem_comp.Formula_mono_iso_wt_13C_15N (FormulaMonoIsoWt13C15N)

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NMR-STAR tag name	_Chem_comp.Formula_mono_iso_wt_13C_15N
Description	NMR-STAR name: _Chem_comp.Formula_mono_iso_wt_13C_15N ?
Database field name	FormulaMonoIsoWt13C15N
SQL Database type	FLOAT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Formula mono iso wt 13C 15N
Examples
Help text

_Chem_comp.Image_file_name (ImageFileName)

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NMR-STAR tag name	_Chem_comp.Image_file_name
Description	NMR-STAR name: _Chem_comp.Image_file_name Please enter the name of the Image file for this ligand or chemical component that was upload from the 'Deposit data files' section of the deposition. If an image file was not uploaded for this ligand, enter 'na'.
Database field name	ImageFileName
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt	Image file name (select 'Deposit data files' to upload the file)
Examples	sucrose.jpg
Help text

_Chem_comp.Image_file_format (ImageFileFormat)

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NMR-STAR tag name	_Chem_comp.Image_file_format
Description	NMR-STAR name: _Chem_comp.Image_file_format Type of image file format
Database field name	ImageFileFormat
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt	Image file type
Examples	jpg; gif; tiff
Help text

_Chem_comp.Topo_file_name (TopoFileName)

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NMR-STAR tag name	_Chem_comp.Topo_file_name
Description	NMR-STAR name: _Chem_comp.Topo_file_name Name of the file containing the information about the topology of the chemical compound.
Database field name	TopoFileName
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Topo file name
Examples	?
Help text

_Chem_comp.Topo_file_format (TopoFileFormat)

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NMR-STAR tag name	_Chem_comp.Topo_file_format
Description	NMR-STAR name: _Chem_comp.Topo_file_format The type of format for the file containing the topology information for the chemical compound.
Database field name	TopoFileFormat
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Topo file format
Examples	?
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_Chem_comp.Struct_file_name (StructFileName)

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NMR-STAR tag name	_Chem_comp.Struct_file_name
Description	NMR-STAR name: _Chem_comp.Struct_file_name Name of a structure file attached to the entry for a chemical component.
Database field name	StructFileName
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Struct file name
Examples	?
Help text

_Chem_comp.Struct_file_format (StructFileFormat)

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NMR-STAR tag name	_Chem_comp.Struct_file_format
Description	NMR-STAR name: _Chem_comp.Struct_file_format File format for the attached structure file.
Database field name	StructFileFormat
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Struct file format
Examples	?
Help text

_Chem_comp.Stereochem_param_file_name (StereochemParamFileName)

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NMR-STAR tag name	_Chem_comp.Stereochem_param_file_name
Description	NMR-STAR name: _Chem_comp.Stereochem_param_file_name Name of a file that contains the stereochemical parameters for the chemical component.
Database field name	StereochemParamFileName
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Stereochem param file name
Examples	?
Help text

_Chem_comp.Stereochem_param_file_format (StereochemParamFileFormat)

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NMR-STAR tag name	_Chem_comp.Stereochem_param_file_format
Description	NMR-STAR name: _Chem_comp.Stereochem_param_file_format File format for the attached stereochemical parameter file.
Database field name	StereochemParamFileFormat
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Stereochem param file format
Examples	?
Help text

_Chem_comp.Model_details (ModelDetails)

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NMR-STAR tag name	_Chem_comp.Model_details
Description	NMR-STAR name: _Chem_comp.Model_details ?
Database field name	ModelDetails
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Model details
Examples	geometry idealized but not minimized
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_Chem_comp.Model_erf (ModelErf)

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NMR-STAR tag name	_Chem_comp.Model_erf
Description	NMR-STAR name: _Chem_comp.Model_erf ?
Database field name	ModelErf
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Model erf
Examples	?
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_Chem_comp.Model_source (ModelSource)

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NMR-STAR tag name	_Chem_comp.Model_source
Description	NMR-STAR name: _Chem_comp.Model_source ?
Database field name	ModelSource
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Model source
Examples	CSD entry ABCDEF
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_Chem_comp.Model_coordinates_details (ModelCoordinatesDetails)

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NMR-STAR tag name	_Chem_comp.Model_coordinates_details
Description	NMR-STAR name: _Chem_comp.Model_coordinates_details ?
Database field name	ModelCoordinatesDetails
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Model coordinates details
Examples	?
Help text

_Chem_comp.Model_coordinates_missing_flag (ModelCoordinatesMissingFlag)

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NMR-STAR tag name	_Chem_comp.Model_coordinates_missing_flag
Description	NMR-STAR name: _Chem_comp.Model_coordinates_missing_flag ?
Database field name	ModelCoordinatesMissingFlag
SQL Database type	VARCHAR(3)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Model coordinates missing flag
Examples	?
Help text

_Chem_comp.Ideal_coordinates_details (IdealCoordinatesDetails)

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NMR-STAR tag name	_Chem_comp.Ideal_coordinates_details
Description	NMR-STAR name: _Chem_comp.Ideal_coordinates_details ?
Database field name	IdealCoordinatesDetails
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Ideal coordinates details
Examples	?
Help text

_Chem_comp.Ideal_coordinates_missing_flag (IdealCoordinatesMissingFlag)

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NMR-STAR tag name	_Chem_comp.Ideal_coordinates_missing_flag
Description	NMR-STAR name: _Chem_comp.Ideal_coordinates_missing_flag ?
Database field name	IdealCoordinatesMissingFlag
SQL Database type	VARCHAR(3)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Ideal coordinates missing flag
Examples	?
Help text

_Chem_comp.Model_coordinates_db_code (ModelCoordinatesDbCode)

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NMR-STAR tag name	_Chem_comp.Model_coordinates_db_code
Description	NMR-STAR name: _Chem_comp.Model_coordinates_db_code ?
Database field name	ModelCoordinatesDbCode
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Model coordinates db code
Examples	?
Help text

_Chem_comp.Processing_site (ProcessingSite)

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NMR-STAR tag name	_Chem_comp.Processing_site
Description	NMR-STAR name: _Chem_comp.Processing_site ?
Database field name	ProcessingSite
SQL Database type	VARCHAR(15)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is a closed enumeration. The list of values are the only ones allowed.
Prompt	Processing site
Examples	?
Help text

_Chem_comp.Vendor (Vendor)

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NMR-STAR tag name	_Chem_comp.Vendor
Description	NMR-STAR name: _Chem_comp.Vendor Name of the company where the compound was purchased.
Database field name	Vendor
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Enumerations	[click for a list of enumerations] This is an open enumeration. The list of values are only suggestions. They are not enforced.
Prompt	Vendor name
Examples	?
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_Chem_comp.Vendor_product_code (VendorProductCode)

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NMR-STAR tag name	_Chem_comp.Vendor_product_code
Description	NMR-STAR name: _Chem_comp.Vendor_product_code The product code assigned to the compound by the vender where the compound was purchased.
Database field name	VendorProductCode
SQL Database type	VARCHAR(127)
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Vendor product code
Examples	?
Help text

_Chem_comp.Details (Details)

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NMR-STAR tag name	_Chem_comp.Details
Description	NMR-STAR name: _Chem_comp.Details Additional text information that is relevant to the data in the current saveframe or to a specific data item in the saveframe. This tag is often used to include information that cannot be associated with a specific tag in the saveframe, but is important.
Database field name	Details
SQL Database type	TEXT
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	Details
Examples	?
Help text

_Chem_comp.DB_query_date (DBQueryDate)

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NMR-STAR tag name	_Chem_comp.DB_query_date
Description	NMR-STAR name: _Chem_comp.DB_query_date Date when the last query was carried out to search for information on the chemical compound.
Database field name	DBQueryDate
SQL Database type	DATETIME year to day
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	DB query date
Examples	?
Help text

_Chem_comp.DB_last_query_revised_last_date (DBLastQueryRevisedLastDate)

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NMR-STAR tag name	_Chem_comp.DB_last_query_revised_last_date
Description	NMR-STAR name: _Chem_comp.DB_last_query_revised_last_date Date the last time new information for the compound was found when a query was executed.
Database field name	DBLastQueryRevisedLastDate
SQL Database type	DATETIME year to day
Part of primary Key	no
Foreign Key on table, column	,
Saveframe ID	no
Row Index	no
Secondary Index	no
Internal Flag	no
Nulls allowed in database?	no
Prompt	DB last query revised last date
Examples	?
Help text