Difference between revisions of "QUINOPRIBOTRANS-RXN"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IMIDAZOLE_ACETALDEHYDE IMIDAZOLE_ACETALDEHYDE] == * smiles: ** C1(NC=NC(CC=O)=1) * inchi key: *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] == * smiles: ** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IMIDAZOLE_ACETALDEHYDE IMIDAZOLE_ACETALDEHYDE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] ==
 
* smiles:
 
* smiles:
** C1(NC=NC(CC=O)=1)
+
** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O
 
* inchi key:
 
* inchi key:
** InChIKey=MQSRGWNVEZRLDK-UHFFFAOYSA-N
+
** InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I
 
* common name:
 
* common name:
** imidazole acetaldehyde
+
** 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
 
* molecular weight:
 
* molecular weight:
** 110.115    
+
** 966.676    
 
* Synonym(s):
 
* Synonym(s):
** (imidazol-4-yl)acetaldehyde
+
** succinylbenzoyl-CoA
 +
** 2-succinylbenzoyl-CoA
 +
** 2-(3'-carboxypropionyl)benzoyl-CoA
 +
** o-succinylbenzoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10089]]
+
* [[NAPHTHOATE-SYN-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=150841 150841]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245100 25245100]
* HMDB : HMDB03905
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C05130 C05130]
+
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.11271820.html 11271820]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27398 27398]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15509 15509]
* METABOLIGHTS : MTBLC27398
+
* BIGG : 41314
{{#set: smiles=C1(NC=NC(CC=O)=1)}}
+
* LIGAND-CPD:
{{#set: inchi key=InChIKey=MQSRGWNVEZRLDK-UHFFFAOYSA-N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03160 C03160]
{{#set: common name=imidazole acetaldehyde}}
+
{{#set: smiles=CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O}}
{{#set: molecular weight=110.115   }}
+
{{#set: inchi key=InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I}}
{{#set: common name=(imidazol-4-yl)acetaldehyde}}
+
{{#set: common name=4-(2'-carboxyphenyl)-4-oxobutyryl-CoA}}
{{#set: consumed by=RXN-10089}}
+
{{#set: molecular weight=966.676   }}
 +
{{#set: common name=succinylbenzoyl-CoA|2-succinylbenzoyl-CoA|2-(3'-carboxypropionyl)benzoyl-CoA|o-succinylbenzoyl-CoA}}
 +
{{#set: consumed by=NAPHTHOATE-SYN-RXN}}

Revision as of 13:50, 21 March 2018

Metabolite CPD-6972

  • smiles:
    • CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O
  • inchi key:
    • InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I
  • common name:
    • 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
  • molecular weight:
    • 966.676
  • Synonym(s):
    • succinylbenzoyl-CoA
    • 2-succinylbenzoyl-CoA
    • 2-(3'-carboxypropionyl)benzoyl-CoA
    • o-succinylbenzoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O" cannot be used as a page name in this wiki.