Difference between revisions of "CHOLANATE2"

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(Created page with "Category:metabolite == Metabolite VAL == * common-name: ** l-valine * smiles: ** cc(c)c([n+])c([o-])=o * inchi-key: ** kzsnjwfqevhdmf-bypyzucnsa-n * molecular-weight: ** 1...")
(Created page with "Category:metabolite == Metabolite CHOLANATE2 == * common-name: ** 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate * smiles: ** cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite VAL ==
+
== Metabolite CHOLANATE2 ==
 
* common-name:
 
* common-name:
** l-valine
+
** 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate
 
* smiles:
 
* smiles:
** cc(c)c([n+])c([o-])=o
+
** cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1(cc(o)ccc(c)1[ch]2cc(o)c(c)34)))))ccc(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** kzsnjwfqevhdmf-bypyzucnsa-n
+
** rhcpkknrwfxmat-rrwykfpjsa-m
 
* molecular-weight:
 
* molecular-weight:
** 117.147
+
** 405.553
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
 
* [[RXN-16291]]
 
* [[RXN-16294]]
 
* [[RXN-16991]]
 
* [[VALINE--TRNA-LIGASE-RXN]]
 
* [[biomass_rxn]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BRANCHED-CHAINAMINOTRANSFERVAL-RXN]]
+
* [[7-ALPHA-HYDROXYSTEROID-DEH-RXN]]
* [[RXN-16294]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=l-valine}}
+
{{#set: common-name=3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate}}
{{#set: inchi-key=inchikey=kzsnjwfqevhdmf-bypyzucnsa-n}}
+
{{#set: inchi-key=inchikey=rhcpkknrwfxmat-rrwykfpjsa-m}}
{{#set: molecular-weight=117.147}}
+
{{#set: molecular-weight=405.553}}

Latest revision as of 11:14, 18 March 2021

Metabolite CHOLANATE2

  • common-name:
    • 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate
  • smiles:
    • cc([ch]3(cc[ch]4([ch]2(c(=o)c[ch]1(cc(o)ccc(c)1[ch]2cc(o)c(c)34)))))ccc(=o)[o-]
  • inchi-key:
    • rhcpkknrwfxmat-rrwykfpjsa-m
  • molecular-weight:
    • 405.553

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality