Difference between revisions of "Unspecified-Degradation-Products"

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(Created page with "Category:metabolite == Metabolite CPD-14282 == * common-name: ** trans-lignocer-2-enoyl-coa * smiles: ** cccccccccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o...")
(Created page with "Category:metabolite == Metabolite 4-METHYLCATECHOL == * common-name: ** 4-methylcatechol * smiles: ** cc1(c=cc(o)=c(c=1)o) * inchi-key: ** zbcatmyqydctiz-uhfffaoysa-n * mo...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-14282 ==
+
== Metabolite 4-METHYLCATECHOL ==
 
* common-name:
 
* common-name:
** trans-lignocer-2-enoyl-coa
+
** 4-methylcatechol
 
* smiles:
 
* smiles:
** cccccccccccccccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+
** cc1(c=cc(o)=c(c=1)o)
 
* inchi-key:
 
* inchi-key:
** uvjkzcsqlmwpmv-lqjawxtisa-j
+
** zbcatmyqydctiz-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 1112.113
+
** 124.139
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-13308]]
 
* [[TRANS-2-ENOYL-COA-REDUCTASE-NAD+-RXN-CPD-10280/NAD//CPD-14282/NADH/PROTON.37.]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13304]]
+
* [[RXN-10078]]
 +
* [[RXN-10079]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=trans-lignocer-2-enoyl-coa}}
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{{#set: common-name=4-methylcatechol}}
{{#set: inchi-key=inchikey=uvjkzcsqlmwpmv-lqjawxtisa-j}}
+
{{#set: inchi-key=inchikey=zbcatmyqydctiz-uhfffaoysa-n}}
{{#set: molecular-weight=1112.113}}
+
{{#set: molecular-weight=124.139}}

Revision as of 13:11, 14 January 2021

Metabolite 4-METHYLCATECHOL

  • common-name:
    • 4-methylcatechol
  • smiles:
    • cc1(c=cc(o)=c(c=1)o)
  • inchi-key:
    • zbcatmyqydctiz-uhfffaoysa-n
  • molecular-weight:
    • 124.139

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality