NMR and structural NMR databases Flashcards
1
Q
l.h.s methyl function protons
A
remain the expected signal we observed for methyl acetate, since they are isolated from adjacent protons by the ester function
2
Q
see pp for
A
multiples and pascals triangle
3
Q
spin spin coupling
A
n+1 rule
focus on one group of magnetically-equivalent 1H nuclei in a particular functional group
4
Q
see pp for
A
multiplet examples
5
Q
see pp for
A
examples of NMR spectra
6
Q
name 2 structural NMR databases
A
human metabolome database
drugbank database
7
Q
human metabolome database
A
- Comprehensive, high quality and free-online database of low-molecular-mass metabolites available in the human body
- Dedicated biomolecule database
- HMDB helps us with human biomolecule research including the identification and characterisation of human metabolites using NMR spectroscopic and MS analyses
8
Q
class of data available in human metabolome database
A
- Chemical and physicochemical data
- Clinical data
- Biochemistry
- Metabolic pathways
- Chemical/biochemical data includes >40,000 metabolite structures with detailed descriptions; 10,000 NMR and mass spectra
9
Q
drug bank database
A
- Unique bioinformatics and cheminformatics resource that combines detailed drug data with comprehensive drug target information
- Drugbank version 5.0.11 contains 10,970 drug entries
- Each DrugCard entry contains more than 200 data fields with half of the information being devoted to drug/chemical data, and the other half devoted to drug target or protein data
