Difference between revisions of "PELARGONIDIN-CMPD"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=MG-PROTOPORPHYRIN MG-PROTOPORPHYRIN] == * smiles: ** C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=...")
(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...")
 
(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=MG-PROTOPORPHYRIN MG-PROTOPORPHYRIN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] ==
 
* smiles:
 
* smiles:
−
** C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(CCC(=O)[O-])C(N56)=C7))))8))))
+
** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)
 
* common name:
 
* common name:
−
** Mg-protoporphyrin
+
** pelargonidin
 +
* inchi key:
 +
** InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 582.94    
+
** 269.233    
 
* Synonym(s):
 
* Synonym(s):
−
** Mg-protoporphyrin IX
+
** 3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride
−
** magnesium protoporphyrin
+
** 3,4',5,7-tetrahydroxyflavylium chloride
−
** MgP
+
** 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-MG-PROTOPORPHYRIN-METHYLESTER-SYN]]
+
* [[RXN-9724]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN1F-20]]
+
* [[LEUCPEL-RXN]]
 
== 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=90657481 90657481]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657848 90657848]
−
* CHEBI:
+
* HMDB : HMDB03263
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60492 60492]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C03516 C03516]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05904 C05904]
−
{{#set: smiles=C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(CCC(=O)[O-])C(N56)=C7))))8))))}}
+
* CHEBI:
−
{{#set: common name=Mg-protoporphyrin}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25863 25863]
−
{{#set: molecular weight=582.94   }}
+
* METABOLIGHTS : MTBLC25863
−
{{#set: common name=Mg-protoporphyrin IX|magnesium protoporphyrin|MgP}}
+
{{#set: smiles=C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)}}
−
{{#set: consumed by=RXN-MG-PROTOPORPHYRIN-METHYLESTER-SYN}}
+
{{#set: common name=pelargonidin}}
−
{{#set: produced by=RXN1F-20}}
+
{{#set: inchi key=InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M}}
 +
{{#set: molecular weight=269.233   }}
 +
{{#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: consumed by=RXN-9724}}
 +
{{#set: produced by=LEUCPEL-RXN}}

Latest revision as of 20:24, 21 March 2018

Metabolite PELARGONIDIN-CMPD

  • smiles:
    • C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)
  • common name:
    • pelargonidin
  • inchi key:
    • InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M
  • molecular weight:
    • 269.233
  • Synonym(s):
    • 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

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 134-04-3
  • LIPID_MAPS : LMPK12010003
  • PUBCHEM:
  • HMDB : HMDB03263
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC25863
"C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)" cannot be used as a page name in this wiki.




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=PELARGONIDIN-CMPD&oldid=48543"