Difference between revisions of "CPD-61"

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(Created page with "Category:metabolite == Metabolite CPD-13700 == * common-name: ** 3-oxo-4-pregnene-20-carboxyl-coa * smiles: ** cc(c(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op...")
(Created page with "Category:metabolite == Metabolite CPD-61 == * common-name: ** (2r,3s)-2,3-dimethylmalate * smiles: ** cc(c(=o)[o-])c(c)(o)c(=o)[o-] * inchi-key: ** wtiiulqjlzehgz-cvyqjglw...")
 
(2 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite CPD-13700 ==
+
== Metabolite CPD-61 ==
 
* common-name:
 
* common-name:
** 3-oxo-4-pregnene-20-carboxyl-coa
+
** (2r,3s)-2,3-dimethylmalate
 
* smiles:
 
* smiles:
** cc(c(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-])[ch]6(cc[ch]7([ch]5(ccc4(=cc(=o)ccc(c)4[ch]5ccc(c)67))))
+
** cc(c(=o)[o-])c(c)(o)c(=o)[o-]
 
* inchi-key:
 
* inchi-key:
** cjjbducnumwujx-zktjokcmsa-j
+
** wtiiulqjlzehgz-cvyqjglwsa-l
 
* molecular-weight:
 
* molecular-weight:
** 1089.98
+
** 160.126
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[23-DIMETHYLMALATE-LYASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-12710]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=3-oxo-4-pregnene-20-carboxyl-coa}}
+
{{#set: common-name=(2r,3s)-2,3-dimethylmalate}}
{{#set: inchi-key=inchikey=cjjbducnumwujx-zktjokcmsa-j}}
+
{{#set: inchi-key=inchikey=wtiiulqjlzehgz-cvyqjglwsa-l}}
{{#set: molecular-weight=1089.98}}
+
{{#set: molecular-weight=160.126}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-61

  • common-name:
    • (2r,3s)-2,3-dimethylmalate
  • smiles:
    • cc(c(=o)[o-])c(c)(o)c(=o)[o-]
  • inchi-key:
    • wtiiulqjlzehgz-cvyqjglwsa-l
  • molecular-weight:
    • 160.126

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality