Difference between revisions of "3.2.1.23-RXN"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PROTOHEME PROTOHEME] == * smiles: ** C=CC1(C(C)=C7(C=C8(C(C)=C(CCC(=O)[O-])C6(=[N+]([Fe--]24(N(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14704 CPD-14704] == * smiles: ** CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PROTOHEME PROTOHEME] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14704 CPD-14704] ==
 
* smiles:
 
* smiles:
−
** C=CC1(C(C)=C7(C=C8(C(C)=C(CCC(=O)[O-])C6(=[N+]([Fe--]24(N(C=1C=C3(C(C)=C(C=C)C(=[N+]23)C=C5(C(C)=C(CCC(=O)[O-])C(N45)=C6)))7))8))))
+
** CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=KABFMIBPWCXCRK-RGGAHWMASA-J
+
** InChIKey=NOKRNJLENDLSKM-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** ferroheme b
+
** 4-hydroxy-2-nonenal-glutathione conjugate
 
* molecular weight:
 
* molecular weight:
−
** 614.482    
+
** 462.537    
 
* Synonym(s):
 
* Synonym(s):
−
** protoheme IX
 
−
** ferroprotoporphyrin IX
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[HEME-OXYGENASE-DECYCLIZING-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13673]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[PROTOHEMEFERROCHELAT-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CHEBI:
+
* PUBCHEM:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17627 17627]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657725 90657725]
−
* BIGG : pheme
+
{{#set: smiles=CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O}}
−
{{#set: smiles=C=CC1(C(C)=C7(C=C8(C(C)=C(CCC(=O)[O-])C6(=[N+]([Fe--]24(N(C=1C=C3(C(C)=C(C=C)C(=[N+]23)C=C5(C(C)=C(CCC(=O)[O-])C(N45)=C6)))7))8))))}}
+
{{#set: inchi key=InChIKey=NOKRNJLENDLSKM-UHFFFAOYSA-M}}
−
{{#set: inchi key=InChIKey=KABFMIBPWCXCRK-RGGAHWMASA-J}}
+
{{#set: common name=4-hydroxy-2-nonenal-glutathione conjugate}}
−
{{#set: common name=ferroheme b}}
+
{{#set: molecular weight=462.537   }}
−
{{#set: molecular weight=614.482   }}
+
{{#set: produced by=RXN-13673}}
−
{{#set: common name=protoheme IX|ferroprotoporphyrin IX}}
+
−
{{#set: consumed by=HEME-OXYGENASE-DECYCLIZING-RXN}}
+
−
{{#set: consumed or produced by=PROTOHEMEFERROCHELAT-RXN}}
+

Revision as of 16:55, 10 January 2018

Metabolite CPD-14704

  • smiles:
    • CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O
  • inchi key:
    • InChIKey=NOKRNJLENDLSKM-UHFFFAOYSA-M
  • common name:
    • 4-hydroxy-2-nonenal-glutathione conjugate
  • molecular weight:
    • 462.537
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCC(O)C(C[CH]=O)SCC(NC(=O)CCC([N+])C(=O)[O-])C(=O)NCC([O-])=O" cannot be used as a page name in this wiki.



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