Difference between revisions of "CPD-804"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-1162 CPD0-1162] == * smiles: ** CCCCCCCCC=CCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] == * smiles: ** C(CCC(O)CC(C([O-])=O)=O)([O-])=O * common name: ** (4S)-4-hydr...")
 
(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=CPD0-1162 CPD0-1162] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] ==
 
* smiles:
 
* smiles:
** CCCCCCCCC=CCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O
+
** C(CCC(O)CC(C([O-])=O)=O)([O-])=O
* inchi key:
+
** InChIKey=JVEFYXPCQBMMAA-ZMLWRGBOSA-J
+
 
* common name:
 
* common name:
** (2E,5Z)-tetradecenoyl-CoA
+
** (4S)-4-hydroxy-2-oxoheptanedioate
 +
* inchi key:
 +
** InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
 
* molecular weight:
 
* molecular weight:
** 969.83    
+
** 188.137    
 
* Synonym(s):
 
* Synonym(s):
** 2-trans,5-cis-tetradecenoyl-CoA
+
** 4-hydroxy-2-ketoheptane-1,7-dioate
** 14:2-Δ2,Δ5-CoA
+
** 2-oxo-4-hydroxyhepta-1,7-dioate
** 2-trans,5-cis-tetradecadienoyl-CoA
+
** 4-hydroxy-2-oxo-heptanedioate
 +
** 4-hydroxy-2-ketopimelate
 +
** 2-keto-4-hydroxypimelate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-14576]]
 
* [[RXN-17783]]
 
 
== 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=25244134 25244134]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91828275 91828275]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.19951289.html 19951289]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87701 87701]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=87522 87522]
{{#set: smiles=CCCCCCCCC=CCC=CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])=O}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=JVEFYXPCQBMMAA-ZMLWRGBOSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05601 C05601]
{{#set: common name=(2E,5Z)-tetradecenoyl-CoA}}
+
{{#set: smiles=C(CCC(O)CC(C([O-])=O)=O)([O-])=O}}
{{#set: molecular weight=969.83   }}
+
{{#set: common name=(4S)-4-hydroxy-2-oxoheptanedioate}}
{{#set: common name=2-trans,5-cis-tetradecenoyl-CoA|14:2-Δ2,Δ5-CoA|2-trans,5-cis-tetradecadienoyl-CoA}}
+
{{#set: inchi key=InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L}}
{{#set: produced by=RXN-14576|RXN-17783}}
+
{{#set: molecular weight=188.137   }}
 +
{{#set: common name=4-hydroxy-2-ketoheptane-1,7-dioate|2-oxo-4-hydroxyhepta-1,7-dioate|4-hydroxy-2-oxo-heptanedioate|4-hydroxy-2-ketopimelate|2-keto-4-hydroxypimelate}}
 +
{{#set: consumed by=4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN}}

Latest revision as of 20:00, 21 March 2018

Metabolite CPD-804

  • smiles:
    • C(CCC(O)CC(C([O-])=O)=O)([O-])=O
  • common name:
    • (4S)-4-hydroxy-2-oxoheptanedioate
  • inchi key:
    • InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
  • molecular weight:
    • 188.137
  • Synonym(s):
    • 4-hydroxy-2-ketoheptane-1,7-dioate
    • 2-oxo-4-hydroxyhepta-1,7-dioate
    • 4-hydroxy-2-oxo-heptanedioate
    • 4-hydroxy-2-ketopimelate
    • 2-keto-4-hydroxypimelate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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