Difference between revisions of "RXN-9657"

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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=CPD1F-130 CPD1F-130] == * smiles: ** CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C(C=CC2...")
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=CPD1F-130 CPD1F-130] ==
 
* smiles:
 
* smiles:
−
** COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)
+
** CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C(C=CC2(=C(CC(CC(C)(C)2)O)C))C)C
−
* inchi key:
+
−
** InChIKey=YFXWTVLDSKSYLW-NSCUHMNNSA-M
+
 
* common name:
 
* common name:
−
** 5-hydroxyferulate
+
** zeaxanthin
 +
* inchi key:
 +
** InChIKey=JKQXZKUSFCKOGQ-QAYBQHTQSA-N
 
* molecular weight:
 
* molecular weight:
−
** 209.178    
+
** 568.881    
 
* Synonym(s):
 
* Synonym(s):
−
** 5-hydroxy ferulic acid
+
** β,β-carotene-3,3'-diol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-3422]]
+
* [[RXN-7978]]
 +
* [[RXN-13193]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-1121]]
+
* [[RXN-7985]]
 +
* [[RXN-8026]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-13185]]
 
== External links  ==
 
== External links  ==
 +
* LIPID_MAPS : LMPR01070261
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54740354 54740354]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280899 5280899]
 +
* HMDB : HMDB02789
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C05619 C05619]
+
** [http://www.genome.jp/dbget-bin/www_bget?C06098 C06098]
−
* HMDB : HMDB35484
+
* CHEMSPIDER:
−
{{#set: smiles=COC1(C=C(C=CC([O-])=O)C=C(O)C(O)=1)}}
+
** [http://www.chemspider.com/Chemical-Structure.4444421.html 4444421]
−
{{#set: inchi key=InChIKey=YFXWTVLDSKSYLW-NSCUHMNNSA-M}}
+
* CHEBI:
−
{{#set: common name=5-hydroxyferulate}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27547 27547]
−
{{#set: molecular weight=209.178   }}
+
* METABOLIGHTS : MTBLC27547
−
{{#set: common name=5-hydroxy ferulic acid}}
+
{{#set: smiles=CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C(C=CC2(=C(CC(CC(C)(C)2)O)C))C)C}}
−
{{#set: consumed by=RXN-3422}}
+
{{#set: common name=zeaxanthin}}
−
{{#set: produced by=RXN-1121}}
+
{{#set: inchi key=InChIKey=JKQXZKUSFCKOGQ-QAYBQHTQSA-N}}
 +
{{#set: molecular weight=568.881   }}
 +
{{#set: common name=β,β-carotene-3,3'-diol}}
 +
{{#set: consumed by=RXN-7978|RXN-13193}}
 +
{{#set: produced by=RXN-7985|RXN-8026}}
 +
{{#set: reversible reaction associated=RXN-13185}}

Revision as of 15:57, 21 March 2018

Metabolite CPD1F-130

  • smiles:
    • CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C(C=CC2(=C(CC(CC(C)(C)2)O)C))C)C
  • common name:
    • zeaxanthin
  • inchi key:
    • InChIKey=JKQXZKUSFCKOGQ-QAYBQHTQSA-N
  • molecular weight:
    • 568.881
  • Synonym(s):
    • β,β-carotene-3,3'-diol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMPR01070261
  • PUBCHEM:
  • HMDB : HMDB02789
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC27547





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