Difference between revisions of "PWY-7185"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] == * smiles: ** CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] == * smiles: ** CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] ==
 
* 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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** CC(C)=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:
** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
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** InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
 
* common name:
 
* common name:
** acetoacetyl-CoA
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** 3-hydroxy-5-methylhex-4-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 847.577    
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** 889.657    
 
* Synonym(s):
 
* Synonym(s):
** 3-acetoacetyl-CoA
 
** acetoacetyl-S-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[ACETOACETATE--COA-LIGASE-RXN]]
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* [[RXN-11919]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-11662]]
 
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 
* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
 
 
== External links  ==
 
== External links  ==
* DRUGBANK : DB03059
 
* CAS : 1420-36-6
 
* BIGG : 34646
 
* LIPID_MAPS : LMFA07050030
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266540 45266540]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986102 50986102]
* KNAPSACK : C00007269
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* HMDB : HMDB01484
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332]
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** [http://www.genome.jp/dbget-bin/www_bget?C16469 C16469]
* CHEBI:
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* HMDB : HMDB60373
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286]
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{{#set: smiles=CC(C)=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-]}}
* METABOLIGHTS : MTBLC57286
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{{#set: inchi key=InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J}}
{{#set: 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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{{#set: common name=3-hydroxy-5-methylhex-4-enoyl-CoA}}
{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}}
+
{{#set: molecular weight=889.657   }}
{{#set: common name=acetoacetyl-CoA}}
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{{#set: produced by=RXN-11919}}
{{#set: molecular weight=847.577   }}
+
{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}}
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{{#set: consumed by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN}}
+
{{#set: produced by=ACETOACETATE--COA-LIGASE-RXN}}
+
{{#set: reversible reaction associated=RXN-11662|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN|ACETYL-COA-ACETYLTRANSFER-RXN}}
+

Revision as of 13:37, 21 March 2018

Metabolite CPD-12905

  • smiles:
    • CC(C)=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:
    • InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
  • common name:
    • 3-hydroxy-5-methylhex-4-enoyl-CoA
  • molecular weight:
    • 889.657
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=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-" cannot be used as a page name in this wiki.