Difference between revisions of "CPD-6702"

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(Created page with "Category:metabolite == Metabolite THREO-DS-ISO-CITRATE == * common-name: ** d-threo-isocitrate * smiles: ** c(=o)(c(cc([o-])=o)c(o)c([o-])=o)[o-] * inchi-key: ** odblhexud...")
(Created page with "Category:metabolite == Metabolite CPD-30 == * common-name: ** 4-acetamidobutanal * smiles: ** cc(nccc[ch]=o)=o * inchi-key: ** ddslgzoyepkpsj-uhfffaoysa-n * molecular-weig...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite THREO-DS-ISO-CITRATE ==
+
== Metabolite CPD-30 ==
 
* common-name:
 
* common-name:
** d-threo-isocitrate
+
** 4-acetamidobutanal
 
* smiles:
 
* smiles:
** c(=o)(c(cc([o-])=o)c(o)c([o-])=o)[o-]
+
** cc(nccc[ch]=o)=o
 
* inchi-key:
 
* inchi-key:
** odblhexudapzau-zafykaaxsa-k
+
** ddslgzoyepkpsj-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 189.101
+
** 129.158
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[ACONITATEHYDR-RXN]]
+
* [[RXN-37]]
* [[ISOCIT-CLEAV-RXN]]
 
* [[ISOCITDEH-RXN]]
 
* [[RXN-14047]]
 
* [[RXN-9951]]
 
* [[biomass_rxn]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACONITATEHYDR-RXN]]
+
* [[RXN-1]]
* [[ISOCIT-CLEAV-RXN]]
 
* [[ISOCITDEH-RXN]]
 
* [[RXN-14047]]
 
* [[RXN-9951]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=d-threo-isocitrate}}
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{{#set: common-name=4-acetamidobutanal}}
{{#set: inchi-key=inchikey=odblhexudapzau-zafykaaxsa-k}}
+
{{#set: inchi-key=inchikey=ddslgzoyepkpsj-uhfffaoysa-n}}
{{#set: molecular-weight=189.101}}
+
{{#set: molecular-weight=129.158}}

Revision as of 18:54, 14 January 2021

Metabolite CPD-30

  • common-name:
    • 4-acetamidobutanal
  • smiles:
    • cc(nccc[ch]=o)=o
  • inchi-key:
    • ddslgzoyepkpsj-uhfffaoysa-n
  • molecular-weight:
    • 129.158

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality