Difference between revisions of "Aromatic-Oxoacids"

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(Created page with "Category:metabolite == Metabolite CPD-11518 == * common-name: ** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa * smiles: ** ccc=ccc1(c(ccc(=o)1)cccccc=cc(s...")
(Created page with "Category:metabolite == Metabolite CPD-14601 == * common-name: ** mycophenolate * smiles: ** cc(ccc([o-])=o)=ccc1(=c(c(c)=c2(coc(=o)c(=c(o)1)2))oc) * inchi-key: ** hpnsfsbz...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-11518 ==
+
== Metabolite CPD-14601 ==
 
* common-name:
 
* common-name:
** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa
+
** mycophenolate
 
* smiles:
 
* smiles:
** ccc=ccc1(c(ccc(=o)1)cccccc=cc(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-])=o)
+
** cc(ccc([o-])=o)=ccc1(=c(c(c)=c2(coc(=o)c(=c(o)1)2))oc)
 
* inchi-key:
 
* inchi-key:
** wdbpmrzybzciqe-dzxubonnsa-j
+
** hpnsfsbzbahari-rudmxatfsa-m
 
* molecular-weight:
 
* molecular-weight:
** 1037.905
+
** 319.333
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10697]]
+
* [[RXN-13607]]
 +
* [[RXN-13608]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-10696]]
+
* [[RXN-13605]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-octa-2-enoyl)-coa}}
+
{{#set: common-name=mycophenolate}}
{{#set: inchi-key=inchikey=wdbpmrzybzciqe-dzxubonnsa-j}}
+
{{#set: inchi-key=inchikey=hpnsfsbzbahari-rudmxatfsa-m}}
{{#set: molecular-weight=1037.905}}
+
{{#set: molecular-weight=319.333}}

Revision as of 11:15, 15 January 2021

Metabolite CPD-14601

  • common-name:
    • mycophenolate
  • smiles:
    • cc(ccc([o-])=o)=ccc1(=c(c(c)=c2(coc(=o)c(=c(o)1)2))oc)
  • inchi-key:
    • hpnsfsbzbahari-rudmxatfsa-m
  • molecular-weight:
    • 319.333

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality