Difference between revisions of "CPD-7649"

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(Created page with "Category:metabolite == Metabolite 2-METHYL-ACETO-ACETYL-COA == * common-name: ** 2-methylacetoacetyl-coa * smiles: ** cc(c(sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(...")
(Created page with "Category:metabolite == Metabolite CPD-7649 == * common-name: ** dopamine 3-o-sulfate * smiles: ** c1(=c(cc[n+])c=c(os(=o)(=o)[o-])c(o)=c1) * inchi-key: ** nzkryjgnypyxjz-u...")
 
(6 intermediate revisions by 2 users not shown)
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite 2-METHYL-ACETO-ACETYL-COA ==
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== Metabolite CPD-7649 ==
 
* common-name:
 
* common-name:
** 2-methylacetoacetyl-coa
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** dopamine 3-o-sulfate
 
* smiles:
 
* smiles:
** cc(c(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-])=o)c(=o)c
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** c1(=c(cc[n+])c=c(os(=o)(=o)[o-])c(o)=c1)
 
* inchi-key:
 
* inchi-key:
** nhnodhrscralbf-nqnbqjknsa-j
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** nzkryjgnypyxjz-uhfffaoysa-n
 
* molecular-weight:
 
* molecular-weight:
** 861.604
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** 233.239
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[1.1.1.178-RXN]]
 
* [[ACCAT]]
 
* [[HMNOS]]
 
* [[METHYLACETOACETYLCOATHIOL-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[1.1.1.178-RXN]]
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* [[RXN6666-9]]
* [[HMNOS]]
 
* [[METHYLACETOACETYLCOATHIOL-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=2-methylacetoacetyl-coa}}
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{{#set: common-name=dopamine 3-o-sulfate}}
{{#set: inchi-key=inchikey=nhnodhrscralbf-nqnbqjknsa-j}}
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{{#set: inchi-key=inchikey=nzkryjgnypyxjz-uhfffaoysa-n}}
{{#set: molecular-weight=861.604}}
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{{#set: molecular-weight=233.239}}

Latest revision as of 11:15, 18 March 2021

Metabolite CPD-7649

  • common-name:
    • dopamine 3-o-sulfate
  • smiles:
    • c1(=c(cc[n+])c=c(os(=o)(=o)[o-])c(o)=c1)
  • inchi-key:
    • nzkryjgnypyxjz-uhfffaoysa-n
  • molecular-weight:
    • 233.239

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality