Difference between revisions of "RXN-10814"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-HYDROXY-FERULIC-ACID 5-HYDROXY-FERULIC-ACID] == * smiles: ** COC1(C=C(C=CC([O-])=O)C=C(O)C(O)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PROPIONYL-COA PROPIONYL-COA] == * smiles: ** CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-HYDROXY-FERULIC-ACID 5-HYDROXY-FERULIC-ACID] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PROPIONYL-COA PROPIONYL-COA] ==
 
* smiles:
 
* smiles:
** COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)
+
** CCC(=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=YFXWTVLDSKSYLW-NSCUHMNNSA-M
+
** InChIKey=QAQREVBBADEHPA-IEXPHMLFSA-J
 
* common name:
 
* common name:
** 5-hydroxyferulate
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** propanoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 209.178    
+
** 819.566    
 
* Synonym(s):
 
* Synonym(s):
** 5-hydroxy ferulic acid
+
** n-propionyl-CoA
 +
** propionyl-CoA
 +
** propionyl-coenzyme A
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-3422]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1121]]
+
* [[RXN-7790]]
 +
* [[1.2.1.27-RXN]]
 +
* [[RXN-11213]]
 +
* [[2.3.1.176-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[METHYLACETOACETYLCOATHIOL-RXN]]
 +
* [[PROPIONYL-COA-CARBOXY-RXN]]
 +
* [[RXN-12561]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 317-66-8
 +
* BIGG : 33852
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54740354 54740354]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266613 45266613]
 +
* HMDB : HMDB01275
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C05619 C05619]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00100 C00100]
* HMDB : HMDB35484
+
* CHEBI:
{{#set: smiles=COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57392 57392]
{{#set: inchi key=InChIKey=YFXWTVLDSKSYLW-NSCUHMNNSA-M}}
+
* METABOLIGHTS : MTBLC57392
{{#set: common name=5-hydroxyferulate}}
+
{{#set: smiles=CCC(=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-]}}
{{#set: molecular weight=209.178   }}
+
{{#set: inchi key=InChIKey=QAQREVBBADEHPA-IEXPHMLFSA-J}}
{{#set: common name=5-hydroxy ferulic acid}}
+
{{#set: common name=propanoyl-CoA}}
{{#set: consumed by=RXN-3422}}
+
{{#set: molecular weight=819.566   }}
{{#set: produced by=RXN-1121}}
+
{{#set: common name=n-propionyl-CoA|propionyl-CoA|propionyl-coenzyme A}}
 +
{{#set: produced by=RXN-7790|1.2.1.27-RXN|RXN-11213|2.3.1.176-RXN}}
 +
{{#set: reversible reaction associated=METHYLACETOACETYLCOATHIOL-RXN|PROPIONYL-COA-CARBOXY-RXN|RXN-12561}}

Revision as of 22:03, 17 March 2018

Metabolite PROPIONYL-COA

  • smiles:
    • CCC(=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=QAQREVBBADEHPA-IEXPHMLFSA-J
  • common name:
    • propanoyl-CoA
  • molecular weight:
    • 819.566
  • Synonym(s):
    • n-propionyl-CoA
    • propionyl-CoA
    • propionyl-coenzyme A

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 317-66-8
  • BIGG : 33852
  • PUBCHEM:
  • HMDB : HMDB01275
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57392
"CCC(=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.