Difference between revisions of "CPD-6972"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=3.5.5.1-RXN 3.5.5.1-RXN] == * direction: ** REVERSIBLE * common name: ** nitrilase * ec number: **...")
 
(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:Reaction]]
+
[[Category:Metabolite]]
−
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=3.5.5.1-RXN 3.5.5.1-RXN] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] ==
−
* direction:
+
* smiles:
−
** REVERSIBLE
+
** 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:
 
* common name:
−
** nitrilase
+
** 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
−
* ec number:
+
* molecular weight:
−
** [http://enzyme.expasy.org/EC/3.5.5.1 EC-3.5.5.1]
+
** 966.676   
 
* Synonym(s):
 
* Synonym(s):
 +
** succinylbenzoyl-CoA
 +
** 2-succinylbenzoyl-CoA
 +
** 2-(3'-carboxypropionyl)benzoyl-CoA
 +
** o-succinylbenzoyl-CoA
  
−
== Reaction Formula ==
+
== Reaction(s) known to consume the compound ==
−
* With identifiers:
+
* [[NAPHTHOATE-SYN-RXN]]
−
** 1 [[Nitriles]][c] '''+''' 2 [[WATER]][c] '''<=>''' 1 [[AMMONIUM]][c] '''+''' 1 [[Carboxylates]][c]
+
== Reaction(s) known to produce the compound ==
−
* With common name(s):
+
== Reaction(s) of unknown directionality ==
−
** 1 a nitrile[c] '''+''' 2 H2O[c] '''<=>''' 1 ammonium[c] '''+''' 1 a carboxylate[c]
+
−
 
+
−
== Genes associated with this reaction  ==
+
−
Genes have been associated with this reaction based on different elements listed below.
+
−
* [[CHC_T00008379001_1]]
+
−
** [[pantograph]]-[[galdieria.sulphuraria]]
+
−
* [[CHC_T00008379001]]
+
−
** ORIGINAL_GENOME
+
−
***AUTOMATED-NAME-MATCH
+
−
== Pathways  ==
+
−
== Reconstruction information  ==
+
−
* [[orthology]]:
+
−
** [[pantograph]]:
+
−
*** [[galdieria.sulphuraria]]
+
−
* [[annotation]]:
+
−
** [[pathwaytools]]:
+
−
*** [[original_genome]]
+
 
== External links  ==
 
== External links  ==
−
* RHEA:
+
* PUBCHEM:
−
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=21724 21724]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245100 25245100]
−
* LIGAND-RXN:
+
* CHEBI:
−
** [http://www.genome.jp/dbget-bin/www_bget?R00540 R00540]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15509 15509]
−
* UNIPROT:
+
* BIGG : sbzcoa
−
** [http://www.uniprot.org/uniprot/P10045 P10045]
+
* LIGAND-CPD:
−
** [http://www.uniprot.org/uniprot/P20960 P20960]
+
** [http://www.genome.jp/dbget-bin/www_bget?C03160 C03160]
−
** [http://www.uniprot.org/uniprot/Q59329 Q59329]
+
{{#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}}
−
** [http://www.uniprot.org/uniprot/P32961 P32961]
+
{{#set: inchi key=InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I}}
−
** [http://www.uniprot.org/uniprot/P32962 P32962]
+
{{#set: common name=4-(2'-carboxyphenyl)-4-oxobutyryl-CoA}}
−
** [http://www.uniprot.org/uniprot/Q55949 Q55949]
+
{{#set: molecular weight=966.676    }}
−
** [http://www.uniprot.org/uniprot/Q42965 Q42965]
+
{{#set: common name=succinylbenzoyl-CoA|2-succinylbenzoyl-CoA|2-(3'-carboxypropionyl)benzoyl-CoA|o-succinylbenzoyl-CoA}}
−
** [http://www.uniprot.org/uniprot/Q42966 Q42966]
+
{{#set: consumed by=NAPHTHOATE-SYN-RXN}}
−
** [http://www.uniprot.org/uniprot/Q23384 Q23384]
+
−
** [http://www.uniprot.org/uniprot/P46010 P46010]
+
−
** [http://www.uniprot.org/uniprot/O04907 O04907]
+
−
** [http://www.uniprot.org/uniprot/P46011 P46011]
+
−
{{#set: direction=REVERSIBLE}}
+
−
{{#set: common name=nitrilase}}
+
−
{{#set: ec number=EC-3.5.5.1}}
+
−
{{#set: gene associated=CHC_T00008379001_1|CHC_T00008379001}}
+
−
{{#set: in pathway=}}
+
−
{{#set: reconstruction category=orthology}}
+
−
{{#set: reconstruction tool=pantograph}}
+
−
{{#set: reconstruction source=galdieria.sulphuraria}}
+
−
{{#set: reconstruction category=annotation}}
+
−
{{#set: reconstruction tool=pathwaytools}}
+
−
{{#set: reconstruction source=original_genome}}
+

Revision as of 16:50, 23 May 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.



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-6972&oldid=18268"