Difference between revisions of "HCN"

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(Created page with "Category:metabolite == Metabolite THR == * common-name: ** l-threonine * smiles: ** cc(o)c([n+])c(=o)[o-] * inchi-key: ** ayfvyjqapqtccc-gbxijsldsa-n * molecular-weight: *...")
(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 THR ==
+
== Metabolite CHOLANATE2 ==
 
* common-name:
 
* common-name:
** l-threonine
+
** 3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate
 
* smiles:
 
* smiles:
** cc(o)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:
** ayfvyjqapqtccc-gbxijsldsa-n
+
** rhcpkknrwfxmat-rrwykfpjsa-m
 
* molecular-weight:
 
* molecular-weight:
** 119.12
+
** 405.553
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-14249]]
 
* [[RXN-14569]]
 
* [[RXN-15122]]
 
* [[THREDEHYD-RXN]]
 
* [[THREODEHYD-RXN]]
 
* [[THREONINE--TRNA-LIGASE-RXN]]
 
* [[THREONINE-ALDOLASE-RXN]]
 
* [[biomass_rxn]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14569]]
+
* [[7-ALPHA-HYDROXYSTEROID-DEH-RXN]]
* [[RXN-15122]]
 
* [[RXN0-6980]]
 
* [[THRESYN-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=l-threonine}}
+
{{#set: common-name=3α,12α-dihydroxy-7-oxo-5β-cholan-24-oate}}
{{#set: inchi-key=inchikey=ayfvyjqapqtccc-gbxijsldsa-n}}
+
{{#set: inchi-key=inchikey=rhcpkknrwfxmat-rrwykfpjsa-m}}
{{#set: molecular-weight=119.12}}
+
{{#set: molecular-weight=405.553}}

Revision as of 18:56, 14 January 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