Difference between revisions of "CPD0-2461"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] == * smiles: ** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] == * smiles: ** C2(=NC1(=C(NC(N=C(N)1)=O)N2)) * common name: ** isoguanine...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2461 CPD0-2461] ==
 
* smiles:
 
* smiles:
−
** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)
+
** C2(=NC1(=C(NC(N=C(N)1)=O)N2))
−
* inchi key:
+
−
** InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M
+
 
* common name:
 
* common name:
−
** pelargonidin
+
** isoguanine
 +
* inchi key:
 +
** InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
−
** 269.233    
+
** 151.127    
 
* Synonym(s):
 
* Synonym(s):
−
** 3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride
+
** 2-oxoadenine
−
** 3,4',5,7-tetrahydroxyflavylium chloride
+
** 2-hydroxyadenine
−
** 3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
+
−
** 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
+
−
** Flavylium, 3,4',5,7-tetrahydroxy-, chloride
+
−
** Pelargonidin chloride
+
−
** Pelargonidol chloride
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-9724]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[LEUCPEL-RXN]]
+
* [[RXN-15139]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 134-04-3
 
−
* LIPID_MAPS : LMPK12010003
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657848 90657848]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=76900 76900]
−
* HMDB : HMDB03263
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.69351.html 69351]
−
** [http://www.genome.jp/dbget-bin/www_bget?C05904 C05904]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25863 25863]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62462 62462]
−
* METABOLIGHTS : MTBLC25863
+
* HMDB : HMDB00403
−
{{#set: smiles=C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)}}
+
{{#set: smiles=C2(=NC1(=C(NC(N=C(N)1)=O)N2))}}
−
{{#set: inchi key=InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M}}
+
{{#set: common name=isoguanine}}
−
{{#set: common name=pelargonidin}}
+
{{#set: inchi key=InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N}}
−
{{#set: molecular weight=269.233   }}
+
{{#set: molecular weight=151.127   }}
−
{{#set: common name=3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride|3,4',5,7-tetrahydroxyflavylium chloride|3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride|1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride|Flavylium, 3,4',5,7-tetrahydroxy-, chloride|Pelargonidin chloride|Pelargonidol chloride}}
+
{{#set: common name=2-oxoadenine|2-hydroxyadenine}}
−
{{#set: consumed by=RXN-9724}}
+
{{#set: produced by=RXN-15139}}
−
{{#set: produced by=LEUCPEL-RXN}}
+

Latest revision as of 21:24, 21 March 2018

Metabolite CPD0-2461

  • smiles:
    • C2(=NC1(=C(NC(N=C(N)1)=O)N2))
  • common name:
    • isoguanine
  • inchi key:
    • InChIKey=DRAVOWXCEBXPTN-UHFFFAOYSA-N
  • molecular weight:
    • 151.127
  • Synonym(s):
    • 2-oxoadenine
    • 2-hydroxyadenine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD0-2461&oldid=48524"