Difference between revisions of "ACETALD"

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(Created page with "Category:metabolite == Metabolite 2-DEHYDROPANTOATE == * common-name: ** 2-dehydropantoate * smiles: ** cc(c(=o)c([o-])=o)(co)c * inchi-key: ** pkvvtuwhanfmqc-uhfffaoysa-m...")
(Created page with "Category:metabolite == Metabolite CPD0-1074 == * common-name: ** aminomethylphosphonate * smiles: ** c(p([o-])(=o)[o-])[n+] * inchi-key: ** mgrvrxrgtboshw-uhfffaoysa-m * m...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-DEHYDROPANTOATE ==
+
== Metabolite CPD0-1074 ==
 
* common-name:
 
* common-name:
** 2-dehydropantoate
+
** aminomethylphosphonate
 
* smiles:
 
* smiles:
** cc(c(=o)c([o-])=o)(co)c
+
** c(p([o-])(=o)[o-])[n+]
 
* inchi-key:
 
* inchi-key:
** pkvvtuwhanfmqc-uhfffaoysa-m
+
** mgrvrxrgtboshw-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 145.135
+
** 110.029
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2-DEHYDROPANTOATE-REDUCT-RXN]]
 
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
 
* [[KETOPANTOALDOLASE-RXN]]
 
* [[MOHMT]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[3-CH3-2-OXOBUTANOATE-OH-CH3-XFER-RXN]]
+
* [[RXN-17951]]
* [[KETOPANTOALDOLASE-RXN]]
 
* [[MOHMT]]
 
* [[MTMOHT]]
 
* [[RXN-15635]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-dehydropantoate}}
+
{{#set: common-name=aminomethylphosphonate}}
{{#set: inchi-key=inchikey=pkvvtuwhanfmqc-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=mgrvrxrgtboshw-uhfffaoysa-m}}
{{#set: molecular-weight=145.135}}
+
{{#set: molecular-weight=110.029}}

Revision as of 18:56, 14 January 2021

Metabolite CPD0-1074

  • common-name:
    • aminomethylphosphonate
  • smiles:
    • c(p([o-])(=o)[o-])[n+]
  • inchi-key:
    • mgrvrxrgtboshw-uhfffaoysa-m
  • molecular-weight:
    • 110.029

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality