Difference between revisions of "CPDQT-30"

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(Created page with "Category:metabolite == Metabolite MYO-INOSITOL == * common-name: ** myo-inositol * smiles: ** c1(c(c(c(c(c1o)o)o)o)o)o * inchi-key: ** cdaismweouebre-gpivlxjgsa-n * molecu...")
(Created page with "Category:metabolite == Metabolite CPDQT-30 == * common-name: ** 9-(methylthio)-2-oxononanoate * smiles: ** cscccccccc(=o)c([o-])=o * inchi-key: ** mjgxiouqxyxglp-uhfffaoys...")
 
Line 1: Line 1:
 
[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite MYO-INOSITOL ==
+
== Metabolite CPDQT-30 ==
 
* common-name:
 
* common-name:
** myo-inositol
+
** 9-(methylthio)-2-oxononanoate
 
* smiles:
 
* smiles:
** c1(c(c(c(c(c1o)o)o)o)o)o
+
** cscccccccc(=o)c([o-])=o
 
* inchi-key:
 
* inchi-key:
** cdaismweouebre-gpivlxjgsa-n
+
** mjgxiouqxyxglp-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 180.157
+
** 217.302
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[2.4.1.123-RXN]]
 
* [[2.4.1.67-RXN]]
 
* [[2.7.8.11-RXN]]
 
* [[MYO-INOSITOL-2-DEHYDROGENASE-RXN]]
 
* [[MYO-INOSITOL-OXYGENASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2.4.1.67-RXN]]
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* [[RXNQT-4174]]
* [[2.4.1.82-RXN]]
 
* [[MYO-INOSITOL-1OR-4-MONOPHOSPHATASE-RXN]]
 
* [[MYO-INOSITOL-2-DEHYDROGENASE-RXN]]
 
* [[RXN-10949]]
 
* [[RXN-10952]]
 
* [[RXN-10953]]
 
* [[RXN-10954]]
 
* [[RXN-7253]]
 
* [[RXN-8281]]
 
* [[RXN0-5408]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=myo-inositol}}
+
{{#set: common-name=9-(methylthio)-2-oxononanoate}}
{{#set: inchi-key=inchikey=cdaismweouebre-gpivlxjgsa-n}}
+
{{#set: inchi-key=inchikey=mjgxiouqxyxglp-uhfffaoysa-m}}
{{#set: molecular-weight=180.157}}
+
{{#set: molecular-weight=217.302}}

Latest revision as of 11:16, 18 March 2021

Metabolite CPDQT-30

  • common-name:
    • 9-(methylthio)-2-oxononanoate
  • smiles:
    • cscccccccc(=o)c([o-])=o
  • inchi-key:
    • mjgxiouqxyxglp-uhfffaoysa-m
  • molecular-weight:
    • 217.302

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality