Difference between revisions of "CPD-5662"

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(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...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5662 CPD-5662] == * smiles: ** C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-]) * inchi key: ** InChIKey=Z...")
 
(2 intermediate revisions by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BENZOYLSUCCINYL-COA BENZOYLSUCCINYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-5662 CPD-5662] ==
 
* smiles:
 
* 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-]
+
** C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-])
 
* inchi key:
 
* inchi key:
−
** InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I
+
** InChIKey=ZARFDBYKHCOTRH-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** benzoylsuccinyl-CoA
+
** 9-mercaptodethiobiotin
 
* molecular weight:
 
* molecular weight:
−
** 966.676    
+
** 245.316    
 
* Synonym(s):
 
* Synonym(s):
 +
** 9-mercaptodesthiobiotin
  
 
== 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-17473]]
 +
* [[RXN-17472]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659089 90659089]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244092 25244092]
−
* CHEBI:
+
{{#set: smiles=C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-])}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28882 28882]
+
{{#set: inchi key=InChIKey=ZARFDBYKHCOTRH-UHFFFAOYSA-M}}
−
* LIGAND-CPD:
+
{{#set: common name=9-mercaptodethiobiotin}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C09820 C09820]
+
{{#set: molecular weight=245.316   }}
−
{{#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=9-mercaptodesthiobiotin}}
−
{{#set: inchi key=InChIKey=SGNPJINSCKFITG-IHEBCORQSA-I}}
+
{{#set: reversible reaction associated=RXN-17473|RXN-17472}}
−
{{#set: common name=benzoylsuccinyl-CoA}}
+
−
{{#set: molecular weight=966.676   }}
+
−
{{#set: produced by=RXN-905}}
+

Latest revision as of 19:31, 21 March 2018

Metabolite CPD-5662

  • smiles:
    • C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-])
  • inchi key:
    • InChIKey=ZARFDBYKHCOTRH-UHFFFAOYSA-M
  • common name:
    • 9-mercaptodethiobiotin
  • molecular weight:
    • 245.316
  • Synonym(s):
    • 9-mercaptodesthiobiotin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-])" cannot be used as a page name in this wiki.



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