Difference between revisions of "CPD66-21"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14873 CPD-14873] == * smiles: ** C(=O)([O-])C1(C=C(N)C(O)=CC=1) * inchi key: ** InChIKey=MR...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-21 CPD66-21] == * smiles: ** CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14873 CPD-14873] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-21 CPD66-21] ==
 
* smiles:
 
* smiles:
** C(=O)([O-])C1(C=C(N)C(O)=CC=1)
+
** CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O
* inchi key:
+
** InChIKey=MRBKRZAPGUCWOS-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
** 3-amino-4-hydroxybenzoate
+
** leukotriene-D4
 +
* inchi key:
 +
** InChIKey=YEESKJGWJFYOOK-IJHYULJSSA-M
 
* molecular weight:
 
* molecular weight:
** 152.129    
+
** 495.653    
 
* Synonym(s):
 
* Synonym(s):
** 3-amino-4-hydroxybenzoic acid
 
** 3,4-AHBA
 
** 5-amino saliciylic acid
 
  
 
== 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 ==
 +
* [[RXN66-336]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-13870]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54694272 54694272]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940265 52940265]
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.58593.html 58593]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60005 60005]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63166 63166]
* LIGAND-CPD:
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{{#set: smiles=CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O}}
** [http://www.genome.jp/dbget-bin/www_bget?C12115 C12115]
+
{{#set: common name=leukotriene-D4}}
{{#set: smiles=C(=O)([O-])C1(C=C(N)C(O)=CC=1)}}
+
{{#set: inchi key=InChIKey=YEESKJGWJFYOOK-IJHYULJSSA-M}}
{{#set: inchi key=InChIKey=MRBKRZAPGUCWOS-UHFFFAOYSA-M}}
+
{{#set: molecular weight=495.653   }}
{{#set: common name=3-amino-4-hydroxybenzoate}}
+
{{#set: produced by=RXN66-336}}
{{#set: molecular weight=152.129   }}
+
{{#set: common name=3-amino-4-hydroxybenzoic acid|3,4-AHBA|5-amino saliciylic acid}}
+
{{#set: consumed or produced by=RXN-13870}}
+

Latest revision as of 19:28, 21 March 2018

Metabolite CPD66-21

  • smiles:
    • CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O
  • common name:
    • leukotriene-D4
  • inchi key:
    • InChIKey=YEESKJGWJFYOOK-IJHYULJSSA-M
  • molecular weight:
    • 495.653
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC=CCC=CC=CC=CC(SCC(C(=O)NCC([O-])=O)[N+])C(CCCC([O-])=O)O" cannot be used as a page name in this wiki.