Difference between revisions of "SJ01052"

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(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18346 CPD-18346] == * common-name: ** cis-vaccenoyl-coa * smiles: ** ccccccc=ccccccccccc(=o...")
(Created page with "Category:metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] == * common-name: ** acetoacetyl-coa * smiles: ** cc(=o)cc(=o)...")
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[[Category:metabolite]]
 
[[Category:metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18346 CPD-18346] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] ==
 
* common-name:
 
* common-name:
** cis-vaccenoyl-coa
+
** acetoacetyl-coa
 
* smiles:
 
* smiles:
** ccccccc=ccccccccccc(=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
+
** 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-]
 
* inchi-key:
 
* inchi-key:
** hejoxxlscaqqgq-saiinbspsa-j
+
** ojfdkhtzouzbos-citakdkdsa-j
 
* molecular-weight:
 
* molecular-weight:
** 1027.953
+
** 847.577
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[FACOAE18111Z]]
+
* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
* [[RXN-17010]]
+
* [[ACACT1h]]
* [[RXN-17011]]
+
* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
* [[RXN-17784]]
+
* [[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 ==
* [[FACOAL18111Z]]
+
* [[ACACT]]
* [[RXN0-7238]]
+
* [[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=cis-vaccenoyl-coa}}
+
{{#set: common-name=acetoacetyl-coa}}
{{#set: inchi-key=inchikey=hejoxxlscaqqgq-saiinbspsa-j}}
+
{{#set: inchi-key=inchikey=ojfdkhtzouzbos-citakdkdsa-j}}
{{#set: molecular-weight=1027.953}}
+
{{#set: molecular-weight=847.577}}

Revision as of 09:23, 27 August 2019

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-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
  • inchi-key:
    • ojfdkhtzouzbos-citakdkdsa-j
  • molecular-weight:
    • 847.577

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality