Data Item _pdbx_nmr_chem_shift_ref.mol_common_name

General

Item name
_pdbx_nmr_chem_shift_ref.mol_common_name
Category name
pdbx_nmr_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.

Additional Descriptive Information for Depositors

 Common name or abbreviation for the reference molecule, as used in the literature.

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|^-]*

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
Deuterium Oxide D deuterium
Histidine N nitrogen
N-acetyl-valine (NAV) N nitrogen
Nitromethane N nitro group
TFA F Trifluoromethyl fluorines
TFE F Trifluoromethyl fluorines
TMP P phosphate
TMS H methyl protons
TMSP 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
acetonitrile H methyl protons
adamantane C methylene carbons
alanine C carbonyl 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
glucose C methyl carbons
liquid anhydrous ammonia N ammonium nitrogen
methanol H methyl protons
methionine 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
Deuterium Oxide D deuterium
Histidine N nitrogen
N-acetyl-valine (NAV) N nitrogen
Nitromethane N nitro group
TFA F Trifluoromethyl fluorines
TFE F Trifluoromethyl fluorines
TMP P phosphate
TMS H methyl protons
TMSP 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
acetonitrile H methyl protons
adamantane C methylene carbons
alanine C carbonyl 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
glucose C methyl carbons
liquid anhydrous ammonia N ammonium nitrogen
methanol H methyl protons
methionine H methyl protons
phosphoric acid P phosphate
phosphoric acid (85%) P phosphate
urea N nitrogen
water H protons