Difference between revisions of "CPD-2185"

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(Created page with "Category:metabolite == Metabolite 4-PRENYLPHLORISOBUTYROPHENONE == * common-name: ** 4-prenylphlorisobutyrophenone * smiles: ** cc(=ccc1(=c(c=c(c(=c1o)c(c(c)c)=o)o)[o-]))c...")
(Created page with "Category:metabolite == Metabolite CIT == * common-name: ** citrate * smiles: ** c(=o)([o-])cc(c(=o)[o-])(o)cc(=o)[o-] * inchi-key: ** krknybchxyngox-uhfffaoysa-k * molecul...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 4-PRENYLPHLORISOBUTYROPHENONE ==
+
== Metabolite CIT ==
 
* common-name:
 
* common-name:
** 4-prenylphlorisobutyrophenone
+
** citrate
 
* smiles:
 
* smiles:
** cc(=ccc1(=c(c=c(c(=c1o)c(c(c)c)=o)o)[o-]))c
+
** c(=o)([o-])cc(c(=o)[o-])(o)cc(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** iobxamcsycvnet-uhfffaoysa-m
+
** krknybchxyngox-uhfffaoysa-k
 
* molecular-weight:
 
* molecular-weight:
** 263.313
+
** 189.101
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-7813]]
+
* [[ACONITATEDEHYDR-RXN]]
 +
* [[AKGCITtm]]
 +
* [[ATP-CITRATE-PRO-S--LYASE-RXN]]
 +
* [[ATPCL]]
 +
* [[OAACITtm]]
 +
* [[RXN-14047]]
 +
* [[biomass_rxn]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[ACONITATEDEHYDR-RXN]]
 +
* [[AKGCITtm]]
 +
* [[CITSYN-RXN]]
 +
* [[CSm]]
 +
* [[OAACITtm]]
 +
* [[RXN-14047]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-prenylphlorisobutyrophenone}}
+
{{#set: common-name=citrate}}
{{#set: inchi-key=inchikey=iobxamcsycvnet-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=krknybchxyngox-uhfffaoysa-k}}
{{#set: molecular-weight=263.313}}
+
{{#set: molecular-weight=189.101}}

Revision as of 11:13, 15 January 2021

Metabolite CIT

  • common-name:
    • citrate
  • smiles:
    • c(=o)([o-])cc(c(=o)[o-])(o)cc(=o)[o-]
  • inchi-key:
    • krknybchxyngox-uhfffaoysa-k
  • molecular-weight:
    • 189.101

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality