Difference between revisions of "CPD-13713"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLYL-COA ACRYLYL-COA] == * smiles: ** C=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC...")
 
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACRYLYL-COA ACRYLYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13713 CPD-13713] ==
 
* smiles:
 
* smiles:
−
** C=CC(=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(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])O[Se](=O)(=O)O
 +
* molecular weight:
 +
** 473.174   
 
* inchi key:
 
* inchi key:
−
** InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-J
+
** InChIKey=XCADVMZZFPIERR-KQYNXXCUSA-M
 
* common name:
 
* common name:
−
** acryloyl-CoA
+
** adenosine 5'-phosphoselenate
−
* molecular weight:
+
−
** 817.551   
+
 
* Synonym(s):
 
* Synonym(s):
−
** acrylyl-coenzyme A
+
** adenylyl-selenate
−
** propenoyl-CoA
+
** APSe
−
** acrylyl-CoA
+
** adenosine phosphoselenate
 +
** adenylylselenate
 +
** adenosine-5'-phosphoselenate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12721]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12720]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-6383]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 5776-58-9
+
* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=2485 2485]
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266595 45266595]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657723 90657723]
−
* HMDB : HMDB02307
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00894 C00894]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05686 C05686]
−
* CHEBI:
+
* HMDB : HMDB04112
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57367 57367]
+
{{#set: smiles=C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])O[Se](=O)(=O)O}}
−
* METABOLIGHTS : MTBLC57367
+
{{#set: molecular weight=473.174    }}
−
{{#set: smiles=C=CC(=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-]}}
+
{{#set: inchi key=InChIKey=XCADVMZZFPIERR-KQYNXXCUSA-M}}
−
{{#set: inchi key=InChIKey=POODSGUMUCVRTR-IEXPHMLFSA-J}}
+
{{#set: common name=adenosine 5'-phosphoselenate}}
−
{{#set: common name=acryloyl-CoA}}
+
{{#set: common name=adenylyl-selenate|APSe|adenosine phosphoselenate|adenylylselenate|adenosine-5'-phosphoselenate}}
−
{{#set: molecular weight=817.551    }}
+
{{#set: consumed by=RXN-12721}}
−
{{#set: common name=acrylyl-coenzyme A|propenoyl-CoA|acrylyl-CoA}}
+
{{#set: produced by=RXN-12720}}
−
{{#set: consumed or produced by=RXN-6383}}
+

Latest revision as of 19:02, 9 January 2019

Metabolite CPD-13713

  • smiles:
    • C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])O[Se](=O)(=O)O
  • molecular weight:
    • 473.174
  • inchi key:
    • InChIKey=XCADVMZZFPIERR-KQYNXXCUSA-M
  • common name:
    • adenosine 5'-phosphoselenate
  • Synonym(s):
    • adenylyl-selenate
    • APSe
    • adenosine phosphoselenate
    • adenylylselenate
    • adenosine-5'-phosphoselenate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(=O)([O-])O[Se](=O)(=O)O" cannot be used as a page name in this wiki.




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