Difference between revisions of "RXN-22"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3187 CPD-3187] == * smiles: ** C1(CCC(O)([N+](C)1)C2(=CN=CC=C2)) * inchi key: ** InChIKey=B...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TETRADECANOYL-COA TETRADECANOYL-COA] == * smiles: ** CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3187 CPD-3187] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TETRADECANOYL-COA TETRADECANOYL-COA] ==
 
* smiles:
 
* smiles:
** C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))
+
** CCCCCCCCCCCCCC(=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=BOQRPPFUUSHFGW-SNVBAGLBSA-O
+
** InChIKey=DUAFKXOFBZQTQE-QSGBVPJFSA-J
 
* common name:
 
* common name:
** 2'-hydroxynicotine
+
** myristoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 179.241    
+
** 973.861    
 
* Synonym(s):
 
* Synonym(s):
 +
** Tetradecanoyl-CoA (n-C14:0CoA)
 +
** tetradecanoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-17021]]
 +
* [[RXN-14131]]
 +
* [[ACACT7m]]
 +
* [[RXN-17023]]
 +
* [[ACOA140or]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN66-146]]
+
* [[2.3.1.155-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.3.1.97-RXN]]
 +
* [[ACACT7]]
 
== External links  ==
 
== External links  ==
 +
* BIGG : tdcoa
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245599 25245599]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244582 25244582]
* HMDB : HMDB01329
+
* HMDB : HMDB01521
{{#set: smiles=C1(CCC(O)([N+](C)1)C2(=CN=CC=C2))}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=BOQRPPFUUSHFGW-SNVBAGLBSA-O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C02593 C02593]
{{#set: common name=2'-hydroxynicotine}}
+
* CHEBI:
{{#set: molecular weight=179.241   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57385 57385]
{{#set: produced by=RXN66-146}}
+
* METABOLIGHTS : MTBLC57385
 +
{{#set: smiles=CCCCCCCCCCCCCC(=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: inchi key=InChIKey=DUAFKXOFBZQTQE-QSGBVPJFSA-J}}
 +
{{#set: common name=myristoyl-CoA}}
 +
{{#set: molecular weight=973.861   }}
 +
{{#set: common name=Tetradecanoyl-CoA (n-C14:0CoA)|tetradecanoyl-CoA}}
 +
{{#set: consumed by=RXN-17021|RXN-14131|ACACT7m|RXN-17023|ACOA140or}}
 +
{{#set: produced by=2.3.1.155-RXN}}
 +
{{#set: consumed or produced by=2.3.1.97-RXN|ACACT7}}

Revision as of 17:56, 10 January 2018

Metabolite TETRADECANOYL-COA

  • smiles:
    • CCCCCCCCCCCCCC(=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=DUAFKXOFBZQTQE-QSGBVPJFSA-J
  • common name:
    • myristoyl-CoA
  • molecular weight:
    • 973.861
  • Synonym(s):
    • Tetradecanoyl-CoA (n-C14:0CoA)
    • tetradecanoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : tdcoa
  • PUBCHEM:
  • HMDB : HMDB01521
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC57385
"CCCCCCCCCCCCCC(=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.