Difference between revisions of "BENZOYLSUCCINYL-COA"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HEXANOYL-COA HEXANOYL-COA] == * smiles: ** CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=HEXANOYL-COA HEXANOYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] ==
 
* smiles:
 
* smiles:
** CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=OEXFMSFODMQEPE-HDRQGHTBSA-J
+
** InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I
 
* common name:
 
* common name:
** hexanoyl-CoA
+
** benzoylsuccinyl-CoA
 
* molecular weight:
 
* molecular weight:
** 861.647    
+
** 966.676    
 
* Synonym(s):
 
* Synonym(s):
** hexanoyl-coenzyme A
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-905]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-14277]]
 
 
== External links  ==
 
== External links  ==
* CAS : 5060-32-2
 
* BIGG : 45470
 
* DRUGBANK : DB02563
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=53262356 53262356]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659089 90659089]
* HMDB : HMDB02845
+
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C05270 C05270]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62620 62620]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28882 28882]
* METABOLIGHTS : MTBLC27540
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* LIGAND-CPD:
{{#set: smiles=CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C09820 C09820]
{{#set: inchi key=InChIKey=OEXFMSFODMQEPE-HDRQGHTBSA-J}}
+
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
{{#set: common name=hexanoyl-CoA}}
+
{{#set: inchi key=InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I}}
{{#set: molecular weight=861.647   }}
+
{{#set: common name=benzoylsuccinyl-CoA}}
{{#set: common name=hexanoyl-coenzyme A}}
+
{{#set: molecular weight=966.676   }}
{{#set: consumed or produced by=RXN-14277}}
+
{{#set: produced by=RXN-905}}

Latest revision as of 19:31, 21 March 2018

Metabolite BENZOYLSUCCINYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • inchi key:
    • InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I
  • common name:
    • benzoylsuccinyl-CoA
  • molecular weight:
    • 966.676
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)C1(=CC=CC=C1))CC(=O)[O-])COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.