Difference between revisions of "CPD-6972"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_NA+ ExchangeSeed_NA+] == * direction: ** REVERSIBLE * Synonym(s): == Reaction Formula...")
(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)...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=ExchangeSeed_NA+ ExchangeSeed_NA+] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** 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
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* inchi key:
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** InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I
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* common name:
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** 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
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* molecular weight:
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** 966.676   
 
* Synonym(s):
 
* Synonym(s):
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** succinylbenzoyl-CoA
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** 2-succinylbenzoyl-CoA
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** 2-(3'-carboxypropionyl)benzoyl-CoA
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** o-succinylbenzoyl-CoA
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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* [[NAPHTHOATE-SYN-RXN]]
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** 1.0 [[NA+]][C-BOUNDARY] '''<=>''' 1.0 [[NA+]][e]
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== Reaction(s) known to produce the compound ==
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1.0 Na+[C-BOUNDARY] '''<=>''' 1.0 Na+[e]
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[manual]]
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** Source: [[manual-import_from_medium]]
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*** Comment: [[added to manage seeds from boundary to extracellular compartment]]
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== External links  ==
 
== External links  ==
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{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
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{{#set: in pathway=}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245100 25245100]
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{{#set: reconstruction category=manual}}
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* CHEBI:
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{{#set: reconstruction source=manual-import_from_medium}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15509 15509]
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{{#set: reconstruction comment=added to manage seeds from boundary to extracellular compartment}}
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* BIGG : 41314
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C03160 C03160]
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{{#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}}
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{{#set: inchi key=InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I}}
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{{#set: common name=4-(2'-carboxyphenyl)-4-oxobutyryl-CoA}}
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{{#set: molecular weight=966.676    }}
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{{#set: common name=succinylbenzoyl-CoA|2-succinylbenzoyl-CoA|2-(3'-carboxypropionyl)benzoyl-CoA|o-succinylbenzoyl-CoA}}
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{{#set: consumed by=NAPHTHOATE-SYN-RXN}}

Latest revision as of 19:49, 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.



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