## NMR-STAR dictionary: database table: ChemCompAtom

Detailed description of the fields

### _Chem_comp_atom.Atom_ID (AtomID)

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NMR-STAR tag name | _Chem_comp_atom.Atom_ID
Description | NMR-STAR name: _Chem_comp_atom.Atom_ID The value of _chem_comp_atom.atom_id must uniquely identify each atom in each monomer in the CHEM_COMP_ATOM list.
Database field name | AtomID
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 | Atom ID
Examples | ?
Help text |

### _Chem_comp_atom.BMRB_code (BMRBCode)

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NMR-STAR tag name | _Chem_comp_atom.BMRB_code
Description | NMR-STAR name: _Chem_comp_atom.BMRB_code A code assigned to the atom by BMRB that is unique within the chemical compound.
Database field name | BMRBCode
SQL Database type | CHAR(12)
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 | BMRB code
Examples | ?
Help text |

### _Chem_comp_atom.PDB_atom_ID (PDBAtomID)

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NMR-STAR tag name | _Chem_comp_atom.PDB_atom_ID
Description | NMR-STAR name: _Chem_comp_atom.PDB_atom_ID Name given to the atom by the PDB.
Database field name | PDBAtomID
SQL Database type | CHAR(12)
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 | PDB name
Examples | ?
Help text |

### _Chem_comp_atom.Alt_atom_ID (AltAtomID)

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NMR-STAR tag name | _Chem_comp_atom.Alt_atom_ID
Description | NMR-STAR name: _Chem_comp_atom.Alt_atom_ID An alternative identifier for the atom. This data item would be used in cases where alternative nomenclatures exist for labelling atoms in a group.
Database field name | AltAtomID
SQL Database type | CHAR(12)
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 | Alt atom ID
Examples | ?
Help text |

### _Chem_comp_atom.Auth_atom_ID (AuthAtomID)

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NMR-STAR tag name | _Chem_comp_atom.Auth_atom_ID
Description | NMR-STAR name: _Chem_comp_atom.Auth_atom_ID An alternative identifier for Atom_id that may be provided by an author in order to match that used in the publication that describes the experimental data.
Database field name | AuthAtomID
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 | Auth atom ID
Examples | HB1
Help text |

### _Chem_comp_atom.Type_symbol (TypeSymbol)

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NMR-STAR tag name | _Chem_comp_atom.Type_symbol
Description | NMR-STAR name: _Chem_comp_atom.Type_symbol The IUPAC symbol used for the atom (H; C; P; O; S).
Database field name | TypeSymbol
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? | yes
Prompt | Atom type
Examples | ?
Help text |

### _Chem_comp_atom.Isotope_number (IsotopeNumber)

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NMR-STAR tag name | _Chem_comp_atom.Isotope_number
Description | NMR-STAR name: _Chem_comp_atom.Isotope_number Isotope number for the atom.
Database field name | IsotopeNumber
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 | Isotope number
Examples | ?
Help text |

### _Chem_comp_atom.Chirality (Chirality)

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NMR-STAR tag name | _Chem_comp_atom.Chirality
Description | NMR-STAR name: _Chem_comp_atom.Chirality The chiral or prochiral characteristic of the atom.
Database field name | Chirality
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 | Chirality of the atom
Examples | R;S;E;Z;pro-R;pro-S
Help text |

### _Chem_comp_atom.Stereo_config (StereoConfig)

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NMR-STAR tag name | _Chem_comp_atom.Stereo_config
Description | NMR-STAR name: _Chem_comp_atom.Stereo_config The chiral configuration of the atom that is a chiral center.
Database field name | StereoConfig
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 | Chirality of the atom
Examples | E;Z;N
Help text |

### _Chem_comp_atom.Charge (Charge)

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NMR-STAR tag name | _Chem_comp_atom.Charge
Description | NMR-STAR name: _Chem_comp_atom.Charge The net integer charge assigned to this atom. This is the formal charge assignment normally found in chemical diagrams.
Database field name | Charge
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 | Charge on the atom
Examples | ?
Help text |

### _Chem_comp_atom.Partial_charge (PartialCharge)

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NMR-STAR tag name | _Chem_comp_atom.Partial_charge
Description | NMR-STAR name: _Chem_comp_atom.Partial_charge The partial charge assigned to this atom.
Database field name | PartialCharge
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 | Partial charge on the atom
Examples | ?
Help text |

### _Chem_comp_atom.Oxidation_number (OxidationNumber)

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NMR-STAR tag name | _Chem_comp_atom.Oxidation_number
Description | NMR-STAR name: _Chem_comp_atom.Oxidation_number The oxidation number for the atom.
Database field name | OxidationNumber
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 | Oxidation number
Examples | ?
Help text |

### _Chem_comp_atom.Unpaired_electron_number (UnpairedElectronNumber)

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NMR-STAR tag name | _Chem_comp_atom.Unpaired_electron_number
Description | NMR-STAR name: _Chem_comp_atom.Unpaired_electron_number The number of unpaired electrons on the atom.
Database field name | UnpairedElectronNumber
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 | Unpaired electrons
Examples | ?
Help text |

### _Chem_comp_atom.Align (Align)

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NMR-STAR tag name | _Chem_comp_atom.Align
Description | NMR-STAR name: _Chem_comp_atom.Align ?
Database field name | Align
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 | Align
Examples | ?
Help text |

### _Chem_comp_atom.Aromatic_flag (AromaticFlag)

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NMR-STAR tag name | _Chem_comp_atom.Aromatic_flag
Description | NMR-STAR name: _Chem_comp_atom.Aromatic_flag A flag indicating an aromatic atom.
Database field name | AromaticFlag
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 | Aromatic flag
Examples | Y
Help text |

### _Chem_comp_atom.Leaving_atom_flag (LeavingAtomFlag)

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NMR-STAR tag name | _Chem_comp_atom.Leaving_atom_flag
Description | NMR-STAR name: _Chem_comp_atom.Leaving_atom_flag A flag indicating a leaving atom.
Database field name | LeavingAtomFlag
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 | Leaving atom flag
Examples | ?
Help text |

### _Chem_comp_atom.Substruct_code (SubstructCode)

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NMR-STAR tag name | _Chem_comp_atom.Substruct_code
Description | NMR-STAR name: _Chem_comp_atom.Substruct_code This data item assigns the atom to a substructure of the component, if appropriate.
Database field name | SubstructCode
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 | Substruct code
Examples | ?
Help text |

### _Chem_comp_atom.Ionizable (Ionizable)

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NMR-STAR tag name | _Chem_comp_atom.Ionizable
Description | NMR-STAR name: _Chem_comp_atom.Ionizable A code indicating the potential for the atom to be in an ionized state.
Database field name | Ionizable
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 | Ionizable
Examples | ?
Help text |

### _Chem_comp_atom.Drawing_2D_coord_x (Drawing2DCoordX)

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NMR-STAR tag name | _Chem_comp_atom.Drawing_2D_coord_x
Description | NMR-STAR name: _Chem_comp_atom.Drawing_2D_coord_x ?
Database field name | Drawing2DCoordX
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 | Drawing 2D coord x
Examples | ?
Help text |

### _Chem_comp_atom.Drawing_2D_coord_y (Drawing2DCoordY)

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NMR-STAR tag name | _Chem_comp_atom.Drawing_2D_coord_y
Description | NMR-STAR name: _Chem_comp_atom.Drawing_2D_coord_y ?
Database field name | Drawing2DCoordY
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 | Drawing 2D coord y
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_x (ModelCartnX)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_x
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_x ?
Database field name | ModelCartnX
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 | Model Cartn x
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_x_esd (ModelCartnXEsd)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_x_esd
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_x_esd ?
Database field name | ModelCartnXEsd
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 | Model Cartn x esd
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_y (ModelCartnY)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_y
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_y ?
Database field name | ModelCartnY
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 | Model Cartn y
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_y_esd (ModelCartnYEsd)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_y_esd
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_y_esd ?
Database field name | ModelCartnYEsd
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 | Model Cartn y esd
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_z (ModelCartnZ)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_z
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_z ?
Database field name | ModelCartnZ
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 | Model Cartn z
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_z_esd (ModelCartnZEsd)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_z_esd
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_z_esd ?
Database field name | ModelCartnZEsd
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 | Model Cartn z esd
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_x_ideal (ModelCartnXIdeal)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_x_ideal
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_x_ideal ?
Database field name | ModelCartnXIdeal
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 | Model Cartn x ideal
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_y_ideal (ModelCartnYIdeal)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_y_ideal
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_y_ideal ?
Database field name | ModelCartnYIdeal
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 | Model Cartn y ideal
Examples | ?
Help text |

### _Chem_comp_atom.Model_Cartn_z_ideal (ModelCartnZIdeal)

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NMR-STAR tag name | _Chem_comp_atom.Model_Cartn_z_ideal
Description | NMR-STAR name: _Chem_comp_atom.Model_Cartn_z_ideal ?
Database field name | ModelCartnZIdeal
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 | Model Cartn z ideal
Examples | ?
Help text |

### _Chem_comp_atom.PDBX_ordinal (PDBXOrdinal)

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NMR-STAR tag name | _Chem_comp_atom.PDBX_ordinal
Description | NMR-STAR name: _Chem_comp_atom.PDBX_ordinal ?
Database field name | PDBXOrdinal
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 | PDBX ordinal
Examples | ?
Help text |

### _Chem_comp_atom.Details (Details)

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NMR-STAR tag name | _Chem_comp_atom.Details
Description | NMR-STAR name: _Chem_comp_atom.Details Text providing additional information about the atom.
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_atom.Sf_ID (SfID)

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NMR-STAR tag name | _Chem_comp_atom.Sf_ID
Description | NMR-STAR name: _Chem_comp_atom.Sf_ID Pointer to '_Chem_comp.Sf_ID'
Database field name | SfID
SQL Database type | INTEGER
Part of primary Key | no
Foreign Key on table, column | Chem_comp, Sf_ID
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_atom.Entry_ID (EntryID)

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NMR-STAR tag name | _Chem_comp_atom.Entry_ID
Description | NMR-STAR name: _Chem_comp_atom.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_atom.Comp_ID (CompID)

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