I am trying to calculate Gibbs free energies for iRC1080 but unfortunately there is no kegg id or metacyc link to get the molfile. for example for metabolite "4hproaraaragalmeara" there is just MetaNetX or SEED provider in which there is no information about the structure of component.
I would be grateful if help me and introduce me a way to get molfile, InCHI of iRC1080.
Hi
I am trying to calculate Gibbs free energies for iRC1080 but unfortunately there is no kegg id or metacyc link to get the molfile. for example for metabolite "4hproaraaragalmeara" there is just MetaNetX or SEED provider in which there is no information about the structure of component.
I would be grateful if help me and introduce me a way to get molfile, InCHI of iRC1080.
Thanks