Difference between revisions of "Curation"

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(Created page with "Category:metabolite == Metabolite 2-AMINOMUCONATE_SEMIALDEHYDE == * common-name: ** (2z,4e)-2-amino-6-oxohexa-2,4-dienoate * smiles: ** c(c=c(c([o-])=o)n)=c[ch]=o * inchi-...")
(Created page with "Category:metabolite == Metabolite CPD-15016 == * common-name: ** (4s)-4-hydroxy-2-oxoglutarate * smiles: ** c(c(=o)c([o-])=o)c(c([o-])=o)o * inchi-key: ** wxskvkpsmahcsg-r...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-AMINOMUCONATE_SEMIALDEHYDE ==
+
== Metabolite CPD-15016 ==
 
* common-name:
 
* common-name:
** (2z,4e)-2-amino-6-oxohexa-2,4-dienoate
+
** (4s)-4-hydroxy-2-oxoglutarate
 
* smiles:
 
* smiles:
** c(c=c(c([o-])=o)n)=c[ch]=o
+
** c(c(=o)c([o-])=o)c(c([o-])=o)o
 
* inchi-key:
 
* inchi-key:
** qcgtzpzkjptaep-wftyeqlwsa-m
+
** wxskvkpsmahcsg-reohclbhsa-l
 
* molecular-weight:
 
* molecular-weight:
** 140.118
+
** 160.083
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-13990]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[AMINO-CARBOXYMUCONATE-SEMIALDEHYDE-RXN]]
+
* [[RXN-13990]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=(2z,4e)-2-amino-6-oxohexa-2,4-dienoate}}
+
{{#set: common-name=(4s)-4-hydroxy-2-oxoglutarate}}
{{#set: inchi-key=inchikey=qcgtzpzkjptaep-wftyeqlwsa-m}}
+
{{#set: inchi-key=inchikey=wxskvkpsmahcsg-reohclbhsa-l}}
{{#set: molecular-weight=140.118}}
+
{{#set: molecular-weight=160.083}}

Revision as of 13:13, 14 January 2021

Metabolite CPD-15016

  • common-name:
    • (4s)-4-hydroxy-2-oxoglutarate
  • smiles:
    • c(c(=o)c([o-])=o)c(c([o-])=o)o
  • inchi-key:
    • wxskvkpsmahcsg-reohclbhsa-l
  • molecular-weight:
    • 160.083

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality