Data Item _chem_shift_ref.mol_common_name
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General 
- Item name
- _chem_shift_ref.mol_common_name
- Category name
- chem_shift_ref
- Attribute name
- mol_common_name
- Required in PDB entries
- yes
- Used in currrent PDB entries
- No
Item Description
Common name or abbreviation used in the literature for the molecule used
as a chemical shift reference.
Item Example
DSS
Data Type 
- Data type code
- line
- Data type detail
- char item types / multi-word items ...
- Primitive data type code
- char
- Regular expression
- [][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*
- Values limited by enumeration list
- no
Controlled Vocabulary
| Allowed Value | Details |
|---|---|
| DMSO | H methyl protons |
| DMSO-d5 | H methyl proton |
| DMSO-d6 | H methyl deuterons |
| DSS | H; C; and N methyl protons |
| Nitromethane | N nitro group |
| TMP | P phosphate |
| TMS | H methyl protons |
| TSP | H; C; and N methyl protons |
| [15N, 15N] ammonium nitrate | N ammonium nitrogen |
| [15N] ammonium chloride | N ammonium nitrogen |
| [15N] ammonium nitrate | N ammonium nitrogen |
| [15N] ammonium sulfate | N ammonium nitrogen |
| [15N] nitric acid | N nitrogen |
| [15N] nitromethane | N nitro group |
| acetate | C methyl carbons |
| ammonium chloride | N ammonium nitrogen |
| ammonium hydroxide | N ammonium nitrogen |
| ammonium nitrate | N ammonium nitrogen |
| ammonium nitrite | N ammonium nitrogen |
| ammonium sulfate | N ammonium nitrogen |
| cadmium perchlorate | Cd cadmium |
| dioxane | C methylene carbons |
| formamide | N ammonium nitrogen |
| liquid anhydrous ammonia | N ammonium nitrogen |
| methanol | H methyl protons |
| phosphoric acid | P phosphate |
| phosphoric acid (85%) | P phosphate |
| urea | N nitrogen |
| water | H protons |
Controlled Vocabulary at Deposition
| Allowed Value | Details |
|---|---|
| DMSO | H methyl protons |
| DMSO-d5 | H methyl proton |
| DMSO-d6 | H methyl deuterons |
| DSS | H; C; and N methyl protons |
| Nitromethane | N nitro group |
| TMP | P phosphate |
| TMS | H methyl protons |
| TSP | H; C; and N methyl protons |
| [15N, 15N] ammonium nitrate | N ammonium nitrogen |
| [15N] ammonium chloride | N ammonium nitrogen |
| [15N] ammonium nitrate | N ammonium nitrogen |
| [15N] ammonium sulfate | N ammonium nitrogen |
| [15N] nitric acid | N nitrogen |
| [15N] nitromethane | N nitro group |
| acetate | C methyl carbons |
| ammonium chloride | N ammonium nitrogen |
| ammonium hydroxide | N ammonium nitrogen |
| ammonium nitrate | N ammonium nitrogen |
| ammonium nitrite | N ammonium nitrogen |
| ammonium sulfate | N ammonium nitrogen |
| cadmium perchlorate | Cd cadmium |
| dioxane | C methylene carbons |
| formamide | N ammonium nitrogen |
| liquid anhydrous ammonia | N ammonium nitrogen |
| methanol | H methyl protons |
| phosphoric acid | P phosphate |
| phosphoric acid (85%) | P phosphate |
| urea | N nitrogen |
| water | H protons |