Difference between revisions of "Ec-02 001210"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOCOSANOATE DOCOSANOATE] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCC([O-])=O * inchi key: ** InChIKe...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOENE PHYTOENE] == * smiles: ** CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DOCOSANOATE DOCOSANOATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PHYTOENE PHYTOENE] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCCCCCC([O-])=O
+
** CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=UKMSUNONTOPOIO-UHFFFAOYSA-M
+
** InChIKey=YVLPJIGOMTXXLP-KEKOKYSKSA-N
 
* common name:
 
* common name:
−
** behenate
+
** all-trans-phytoene
 
* molecular weight:
 
* molecular weight:
−
** 339.58    
+
** 544.946    
 
* Synonym(s):
 
* Synonym(s):
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** behenic acid
+
** 7,7',8,8',11,11',12,12'-octahydro-ψ,ψ-caro
−
** docosanoic acid
+
−
** docosanoate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[R08184]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN1F-144]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 540-04-5
 +
* LIPID_MAPS : LMPR01070254
 
* PUBCHEM:
 
* PUBCHEM:
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460660 5460660]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280784 5280784]
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* HMDB : HMDB00944
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* HMDB : HMDB02181
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C08281 C08281]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05413 C05413]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.4574151.html 4574151]
+
** [http://www.chemspider.com/Chemical-Structure.4444344.html 4444344]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=23858 23858]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=8191 8191]
−
* METABOLIGHTS : MTBLC23858
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* METABOLIGHTS : MTBLC8191
−
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCC([O-])=O}}
+
{{#set: smiles=CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C}}
−
{{#set: inchi key=InChIKey=UKMSUNONTOPOIO-UHFFFAOYSA-M}}
+
{{#set: inchi key=InChIKey=YVLPJIGOMTXXLP-KEKOKYSKSA-N}}
−
{{#set: common name=behenate}}
+
{{#set: common name=all-trans-phytoene}}
−
{{#set: molecular weight=339.58   }}
+
{{#set: molecular weight=544.946   }}
−
{{#set: common name=behenic acid|docosanoic acid|docosanoate}}
+
{{#set: common name=7,7',8,8',11,11',12,12'-octahydro-ψ,ψ-caro}}
−
{{#set: produced by=R08184}}
+
{{#set: reversible reaction associated=RXN1F-144}}

Revision as of 22:39, 17 March 2018

Metabolite PHYTOENE

  • smiles:
    • CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)C)C)C)C
  • inchi key:
    • InChIKey=YVLPJIGOMTXXLP-KEKOKYSKSA-N
  • common name:
    • all-trans-phytoene
  • molecular weight:
    • 544.946
  • Synonym(s):
    • 7,7',8,8',11,11',12,12'-octahydro-ψ,ψ-caro

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 540-04-5
  • LIPID_MAPS : LMPR01070254
  • PUBCHEM:
  • HMDB : HMDB02181
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC8191




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