Difference between revisions of "CPD-431"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-431 CPD-431] == * smiles: ** C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3))) * common...")
 
(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=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-431 CPD-431] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))
−
* inchi key:
+
−
** InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I
+
 
* common name:
 
* common name:
−
** benzoylsuccinyl-CoA
+
** apigenin
 +
* inchi key:
 +
** InChIKey=KZNIFHPLKGYRTM-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 966.676    
+
** 269.233    
 
* Synonym(s):
 
* Synonym(s):
 +
** 4',5,7-trihydroxyflavone
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-7651]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-905]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 520-36-5
 +
* LIPID_MAPS : LMPK12110005
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659089 90659089]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200950 25200950]
−
* CHEBI:
+
* HMDB : HMDB02124
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28882 28882]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C09820 C09820]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01477 C01477]
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58470 58470]
−
{{#set: common name=benzoylsuccinyl-CoA}}
+
{{#set: smiles=C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))}}
−
{{#set: molecular weight=966.676    }}
+
{{#set: common name=apigenin}}
−
{{#set: produced by=RXN-905}}
+
{{#set: inchi key=InChIKey=KZNIFHPLKGYRTM-UHFFFAOYSA-M}}
 +
{{#set: molecular weight=269.233    }}
 +
{{#set: common name=4',5,7-trihydroxyflavone}}
 +
{{#set: consumed by=RXN-7651}}

Latest revision as of 19:52, 21 March 2018

Metabolite CPD-431

  • smiles:
    • C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))
  • common name:
    • apigenin
  • inchi key:
    • InChIKey=KZNIFHPLKGYRTM-UHFFFAOYSA-M
  • molecular weight:
    • 269.233
  • Synonym(s):
    • 4',5,7-trihydroxyflavone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 520-36-5
  • LIPID_MAPS : LMPK12110005
  • PUBCHEM:
  • HMDB : HMDB02124
  • LIGAND-CPD:
  • CHEBI:
"C1(C=C(O)C=CC=1C3(=CC(=O)C2(=C(C=C([O-])C=C(O)2)O3)))" cannot be used as a page name in this wiki.



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