Difference between revisions of "CPD-7105"

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(Created page with "Category:metabolite == Metabolite 2K-4CH3-PENTANOATE == * common-name: ** 4-methyl-2-oxopentanoate * smiles: ** cc(c)cc(c([o-])=o)=o * inchi-key: ** bkajnaxtpsgjcu-uhfffao...")
(Created page with "Category:metabolite == Metabolite CPD-7105 == * common-name: ** deoxyhumulone * smiles: ** cc(=ccc1(=c(c(=c(c(=c1[o-])cc=c(c)c)o)c(cc(c)c)=o)o))c * inchi-key: ** nqybqbzoh...")
 
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2K-4CH3-PENTANOATE ==
+
== Metabolite CPD-7105 ==
 
* common-name:
 
* common-name:
** 4-methyl-2-oxopentanoate
+
** deoxyhumulone
 
* smiles:
 
* smiles:
** cc(c)cc(c([o-])=o)=o
+
** cc(=ccc1(=c(c(=c(c(=c1[o-])cc=c(c)c)o)c(cc(c)c)=o)o))c
 
* inchi-key:
 
* inchi-key:
** bkajnaxtpsgjcu-uhfffaoysa-m
+
** nqybqbzohcaccr-uhfffaoysa-m
 
* molecular-weight:
 
* molecular-weight:
** 129.135
+
** 345.458
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
 
* [[KETOISOCAPROATE-RXN]]
 
* [[RXN-17525]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[BRANCHED-CHAINAMINOTRANSFERLEU-RXN]]
+
* [[RXN-7810]]
* [[RXN-13158]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=4-methyl-2-oxopentanoate}}
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{{#set: common-name=deoxyhumulone}}
{{#set: inchi-key=inchikey=bkajnaxtpsgjcu-uhfffaoysa-m}}
+
{{#set: inchi-key=inchikey=nqybqbzohcaccr-uhfffaoysa-m}}
{{#set: molecular-weight=129.135}}
+
{{#set: molecular-weight=345.458}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-7105

  • common-name:
    • deoxyhumulone
  • smiles:
    • cc(=ccc1(=c(c(=c(c(=c1[o-])cc=c(c)c)o)c(cc(c)c)=o)o))c
  • inchi-key:
    • nqybqbzohcaccr-uhfffaoysa-m
  • molecular-weight:
    • 345.458

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality