Difference between revisions of "CPD-14875"

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(Created page with "Category:metabolite == Metabolite ACETOACETYL-COA == * common-name: ** acetoacetyl-coa * smiles: ** cc(=o)cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(...")
(Created page with "Category:metabolite == Metabolite CPD-11522 == * common-name: ** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa * smiles: ** ccc=ccc1(c(ccc(=o)1)cccc=cc(scc...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite ACETOACETYL-COA ==
+
== Metabolite CPD-11522 ==
 
* common-name:
 
* common-name:
** acetoacetyl-coa
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** 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa
 
* smiles:
 
* smiles:
** cc(=o)cc(=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-]
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** ccc=ccc1(c(ccc(=o)1)cccc=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)
 
* inchi-key:
 
* inchi-key:
** ojfdkhtzouzbos-citakdkdsa-j
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** ieeneqseowxdqk-dioafzbusa-j
 
* molecular-weight:
 
* molecular-weight:
** 847.577
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** 1009.851
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
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* [[RXN-10704]]
* [[ACACT1h]]
 
* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
 
* [[HACD1h]]
 
* [[HBCO_LPAREN_nadp_RPAREN_]]
 
* [[HBCO_LPAREN_nadp_RPAREN_m]]
 
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 
* [[RXN-11662]]
 
* [[RXN-5901]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACACT]]
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* [[RXN-10706]]
* [[ACACT1h]]
 
* [[ACETOACETATE--COA-LIGASE-RXN]]
 
* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
 
* [[HACD1h]]
 
* [[HBCO]]
 
* [[HBCO_LPAREN_nadp_RPAREN_]]
 
* [[HBCO_LPAREN_nadp_RPAREN_m]]
 
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 
* [[RXN-11662]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
{{#set: common-name=acetoacetyl-coa}}
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{{#set: common-name=3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa}}
{{#set: inchi-key=inchikey=ojfdkhtzouzbos-citakdkdsa-j}}
+
{{#set: inchi-key=inchikey=ieeneqseowxdqk-dioafzbusa-j}}
{{#set: molecular-weight=847.577}}
+
{{#set: molecular-weight=1009.851}}

Revision as of 15:30, 5 January 2021

Metabolite CPD-11522

  • common-name:
    • 3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-(e-hexa-2-enoyl)-coa
  • smiles:
    • ccc=ccc1(c(ccc(=o)1)cccc=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)
  • inchi-key:
    • ieeneqseowxdqk-dioafzbusa-j
  • molecular-weight:
    • 1009.851

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality