Difference between revisions of "3.5.5.1-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9965 CPD-9965] == * smiles: ** CCCCCCCCCCCCCCCCCCCC(=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=CONIFERYL-ALCOHOL CONIFERYL-ALCOHOL] == * smiles: ** COC1(=CC(C=CCO)=CC=C(O)1) * inchi key: **...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9965 CPD-9965] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALCOHOL CONIFERYL-ALCOHOL] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCC(=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-]
+
** COC1(=CC(C=CCO)=CC=C(O)1)
 
* inchi key:
 
* inchi key:
−
** InChIKey=JYLSVNBJLYCSSW-IBYUJNRCSA-J
+
** InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N
 
* common name:
 
* common name:
−
** icosanoyl-CoA
+
** coniferyl alcohol
 
* molecular weight:
 
* molecular weight:
−
** 1058.022    
+
** 180.203    
 
* Synonym(s):
 
* Synonym(s):
−
** eicosanoyl-CoA
+
** 4-hydroxy-3-methoxycinnamyl alcohol
−
** arachidoyl-CoA
+
** 3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol
 +
** 4-(3-hydroxy-1-propenyl)-2-methoxyphenol
 +
** γ-hydroxyisoeugenol
 +
** coniferol
 +
** E-coniferyl alcohol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-13295]]
+
* [[RXN-17352]]
−
* [[RXN-9629]]
+
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13306]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN1G-460]]
 
 
== External links  ==
 
== External links  ==
 +
* CAS : 458-35-5
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203411 25203411]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549095 1549095]
−
* CHEBI:
+
* HMDB : HMDB12915
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57380 57380]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C02041 C02041]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00590 C00590]
−
* HMDB : HMDB04258
+
* CHEMSPIDER:
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCC(=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-]}}
+
** [http://www.chemspider.com/Chemical-Structure.1266063.html 1266063]
−
{{#set: inchi key=InChIKey=JYLSVNBJLYCSSW-IBYUJNRCSA-J}}
+
* CHEBI:
−
{{#set: common name=icosanoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17745 17745]
−
{{#set: molecular weight=1058.022   }}
+
* METABOLIGHTS : MTBLC17745
−
{{#set: common name=eicosanoyl-CoA|arachidoyl-CoA}}
+
{{#set: smiles=COC1(=CC(C=CCO)=CC=C(O)1)}}
−
{{#set: consumed by=RXN-13295|RXN-9629}}
+
{{#set: inchi key=InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N}}
−
{{#set: produced by=RXN-13306}}
+
{{#set: common name=coniferyl alcohol}}
−
{{#set: consumed or produced by=RXN1G-460}}
+
{{#set: molecular weight=180.203   }}
 +
{{#set: common name=4-hydroxy-3-methoxycinnamyl alcohol|3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol|4-(3-hydroxy-1-propenyl)-2-methoxyphenol|γ-hydroxyisoeugenol|coniferol|E-coniferyl alcohol}}
 +
{{#set: consumed by=RXN-17352}}

Revision as of 17:27, 10 January 2018

Metabolite CONIFERYL-ALCOHOL

  • smiles:
    • COC1(=CC(C=CCO)=CC=C(O)1)
  • inchi key:
    • InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N
  • common name:
    • coniferyl alcohol
  • molecular weight:
    • 180.203
  • Synonym(s):
    • 4-hydroxy-3-methoxycinnamyl alcohol
    • 3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol
    • 4-(3-hydroxy-1-propenyl)-2-methoxyphenol
    • γ-hydroxyisoeugenol
    • coniferol
    • E-coniferyl alcohol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 458-35-5
  • PUBCHEM:
  • HMDB : HMDB12915
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17745




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