Difference between revisions of "2.7.13.3-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12482 CPD-12482] == * smiles: ** CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2)) * inchi key: ** InChIKe...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17640 CPD-17640] == * smiles: ** C(O)CCCCCCCCCCCCCCCCC([O-])=O * inchi key: ** InChIKey=VLH...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12482 CPD-12482] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17640 CPD-17640] ==
 
* smiles:
 
* smiles:
−
** CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))
+
** C(O)CCCCCCCCCCCCCCCCC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N
+
** InChIKey=VLHZUYUOEGBBJB-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 3,7-dimethylurate
+
** 18-hydroxystearate
 
* molecular weight:
 
* molecular weight:
−
** 196.165    
+
** 299.473    
 
* Synonym(s):
 
* Synonym(s):
−
** 3,7-dimethyluric acid
+
** 18-hydroxyoctadecanoate
 +
** 18-hydroxyoctadecanoic acid
 +
** 18-hydroxystearic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-16401]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-11519]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=83126 83126]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21891501 21891501]
−
* HMDB : HMDB01982
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C16360 C16360]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.74994.html 74994]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=68531 68531]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=86046 86046]
−
* METABOLIGHTS : MTBLC68531
+
{{#set: smiles=C(O)CCCCCCCCCCCCCCCCC([O-])=O}}
−
{{#set: smiles=CN1(C(=O)NC2(=C1C(=O)NC(=O)N(C)2))}}
+
{{#set: inchi key=InChIKey=VLHZUYUOEGBBJB-UHFFFAOYSA-M}}
−
{{#set: inchi key=InChIKey=HMLZLHKHNBLLJD-UHFFFAOYSA-N}}
+
{{#set: common name=18-hydroxystearate}}
−
{{#set: common name=3,7-dimethylurate}}
+
{{#set: molecular weight=299.473   }}
−
{{#set: molecular weight=196.165   }}
+
{{#set: common name=18-hydroxyoctadecanoate|18-hydroxyoctadecanoic acid|18-hydroxystearic acid}}
−
{{#set: common name=3,7-dimethyluric acid}}
+
{{#set: consumed by=RXN-16401}}
−
{{#set: produced by=RXN-11519}}
+

Revision as of 21:26, 17 March 2018

Metabolite CPD-17640

  • smiles:
    • C(O)CCCCCCCCCCCCCCCCC([O-])=O
  • inchi key:
    • InChIKey=VLHZUYUOEGBBJB-UHFFFAOYSA-M
  • common name:
    • 18-hydroxystearate
  • molecular weight:
    • 299.473
  • Synonym(s):
    • 18-hydroxyoctadecanoate
    • 18-hydroxyoctadecanoic acid
    • 18-hydroxystearic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(O)CCCCCCCCCCCCCCCCC([O-])=O" cannot be used as a page name in this wiki.



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