Difference between revisions of "CPD-13907"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHACRYLYL-COA METHACRYLYL-COA] == * smiles: ** C=C(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13907 CPD-13907] == * smiles: ** C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2)) * common name: ** de...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHACRYLYL-COA METHACRYLYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13907 CPD-13907] ==
 
* smiles:
 
* smiles:
−
** C=C(C(=O)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-])C
+
** C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))
−
* inchi key:
+
−
** InChIKey=NPALUEYCDZWBOV-NDZSKPAWSA-J
+
 
* common name:
 
* common name:
−
** methylacrylyl-CoA
+
** dehydroascorbate (bicyclic form)
 +
* inchi key:
 +
** InChIKey=QPPOKIPSRPKDEM-VPGXFDHMSA-N
 
* molecular weight:
 
* molecular weight:
−
** 831.577    
+
** 192.125    
 
* Synonym(s):
 
* Synonym(s):
−
** methacrylyl-CoA
+
** dehydroascorbate monohydrate
−
** 2-methylprop-2-enoyl-CoA
+
−
** methacrylyl-coenzyme A
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12861]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[MEPROPCOA-FAD-RXN]]
+
* [[RXN-12862]]
−
* [[MCDH]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[METHYLACYLYLCOA-HYDROXY-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 6008-91-9
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53262325 53262325]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659000 90659000]
−
* CHEBI:
+
{{#set: smiles=C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62500 62500]
+
{{#set: common name=dehydroascorbate (bicyclic form)}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=QPPOKIPSRPKDEM-VPGXFDHMSA-N}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C03460 C03460]
+
{{#set: molecular weight=192.125   }}
−
* HMDB : HMDB01011
+
{{#set: common name=dehydroascorbate monohydrate}}
−
{{#set: smiles=C=C(C(=O)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-])C}}
+
{{#set: consumed by=RXN-12861}}
−
{{#set: inchi key=InChIKey=NPALUEYCDZWBOV-NDZSKPAWSA-J}}
+
{{#set: produced by=RXN-12862}}
−
{{#set: common name=methylacrylyl-CoA}}
+
−
{{#set: molecular weight=831.577   }}
+
−
{{#set: common name=methacrylyl-CoA|2-methylprop-2-enoyl-CoA|methacrylyl-coenzyme A}}
+
−
{{#set: produced by=MEPROPCOA-FAD-RXN|MCDH}}
+
−
{{#set: consumed or produced by=METHYLACYLYLCOA-HYDROXY-RXN}}
+

Latest revision as of 19:43, 21 March 2018

Metabolite CPD-13907

  • smiles:
    • C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))
  • common name:
    • dehydroascorbate (bicyclic form)
  • inchi key:
    • InChIKey=QPPOKIPSRPKDEM-VPGXFDHMSA-N
  • molecular weight:
    • 192.125
  • Synonym(s):
    • dehydroascorbate monohydrate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C2(=O)(O[CH]1(C(O)(OCC(O)1)C(O)(O)2))" cannot be used as a page name in this wiki.




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