Difference between revisions of "RXN-16136"

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(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: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5881 CPD-5881] == * smiles: ** CC(O)C(O)[CH]1(CNC2(=NC(N)=NC(=O)C(O)(N1)2)) * inchi key: **...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CONIFERYL-ALCOHOL CONIFERYL-ALCOHOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5881 CPD-5881] ==
 
* smiles:
 
* smiles:
** COC1(=CC(C=CCO)=CC=C(O)1)
+
** CC(O)C(O)[CH]1(CNC2(=NC(N)=NC(=O)C(O)(N1)2))
 
* inchi key:
 
* inchi key:
** InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N
+
** InChIKey=KJKIEFUPAPPGBC-ATDKUNPGSA-N
 
* common name:
 
* common name:
** coniferyl alcohol
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** 4α-hydroxy-tetrahydrobiopterin
 
* molecular weight:
 
* molecular weight:
** 180.203    
+
** 257.249    
 
* Synonym(s):
 
* Synonym(s):
** 4-hydroxy-3-methoxycinnamyl alcohol
+
** 4α-hydroxy-5,6,7,8-tetrahydrobiopterin
** 3-(4-hydroxy-3-methoxyphenyl)-2-propen-1-ol
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** 4α-hydroxy-tetrahydropterin
** 4-(3-hydroxy-1-propenyl)-2-methoxyphenol
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** 6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4α-hydroxypterin
** γ-hydroxyisoeugenol
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** coniferol
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** E-coniferyl alcohol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-17352]]
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* [[RXN-7908]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN66-569]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 458-35-5
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1549095 1549095]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657593 90657593]
* HMDB : HMDB12915
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00590 C00590]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.1266063.html 1266063]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17745 17745]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15374 15374]
* METABOLIGHTS : MTBLC17745
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* LIGAND-CPD:
{{#set: smiles=COC1(=CC(C=CCO)=CC=C(O)1)}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15522 C15522]
{{#set: inchi key=InChIKey=JMFRWRFFLBVWSI-NSCUHMNNSA-N}}
+
* HMDB : HMDB02281
{{#set: common name=coniferyl alcohol}}
+
{{#set: smiles=CC(O)C(O)[CH]1(CNC2(=NC(N)=NC(=O)C(O)(N1)2))}}
{{#set: molecular weight=180.203   }}
+
{{#set: inchi key=InChIKey=KJKIEFUPAPPGBC-ATDKUNPGSA-N}}
{{#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: common name=4α-hydroxy-tetrahydrobiopterin}}
{{#set: consumed by=RXN-17352}}
+
{{#set: molecular weight=257.249   }}
 +
{{#set: common name=4α-hydroxy-5,6,7,8-tetrahydrobiopterin|4α-hydroxy-tetrahydropterin|6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4α-hydroxypterin}}
 +
{{#set: consumed by=RXN-7908}}
 +
{{#set: produced by=RXN66-569}}

Revision as of 13:55, 21 March 2018

Metabolite CPD-5881

  • smiles:
    • CC(O)C(O)[CH]1(CNC2(=NC(N)=NC(=O)C(O)(N1)2))
  • inchi key:
    • InChIKey=KJKIEFUPAPPGBC-ATDKUNPGSA-N
  • common name:
    • 4α-hydroxy-tetrahydrobiopterin
  • molecular weight:
    • 257.249
  • Synonym(s):
    • 4α-hydroxy-5,6,7,8-tetrahydrobiopterin
    • 4α-hydroxy-tetrahydropterin
    • 6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4α-hydroxypterin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(O)C(O)[CH]1(CNC2(=NC(N)=NC(=O)C(O)(N1)2))" cannot be used as a page name in this wiki.