Chebi identifiers of chemical species

DeepaMahm commented 4 years ago

Hi @matthiaskoenig

When substrates are mapped to chebi ids For example,

chebi': 'CHEBI_15846',
  'comment': '#8# isoenzyme beta3,beta3, 0.1 M sodium phospahte buffer, pH '
             '7.5, 25°C <20>',
  'data': '710 {NAD+}',
  'refs': [20],
  'substrate': 'NAD+',
  'units': 'mM',
  'value': 710.0

Is it possible to map the secondary chebi ids of a compound too?

For instance on bigg database apart from CHEBI:15846 , four secondary ids are given. This will be helpful for mapping brenda compounds to compounds present in a kinetic model.

matthiaskoenig commented 4 years ago

Hi @DeepaMahm, Yes, this is still an open task.

I am in the process of doing a more comprehensive mapping to other databases and resources. But this will be a bit more general solution which will allow to take a given CHEBI id and then get all the secondary database links (including the secondary CHEBI ids).

M

clayton-r commented 4 years ago

most of the CHEBI x-references can also be mapped via the MetaNetX chem_xrefs file here:

https://www.metanetx.org/cgi-bin/mnxget/mnxref/chem_xref.tsv

matthiaskoenig / brendapy

Chebi identifiers of chemical species #36