Difference between revisions of "CPD-514"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-HEXOSE-6-PHOSPHATE D-HEXOSE-6-PHOSPHATE] == * smiles: ** C(OP(=O)([O-])[O-])C1(OC(O)C(O)C(O)C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))COP(=O)(OP...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=D-HEXOSE-6-PHOSPHATE D-HEXOSE-6-PHOSPHATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-514 CPD-514] ==
 
* smiles:
 
* smiles:
** C(OP(=O)([O-])[O-])C1(OC(O)C(O)C(O)C(O)1)
+
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))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=NBSCHQHZLSJFNQ-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
** D-hexose 6-phosphate
+
** 3-oxo-3-phenylpropanoyl-CoA
 +
* inchi key:
 +
** InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
 
* molecular weight:
 
* molecular weight:
** 258.121    
+
** 909.648    
 
* Synonym(s):
 
* Synonym(s):
 +
** benzoyl-acetyl-CoA
 +
** oxocinnamoyl-CoA
 +
** 3-keto-3-phenylpropionyl-CoA
 +
** β-oxophenyl-propionyl-CoA
 +
** 3-oxo-3-phenylpropionyl-coenzyme A
 +
** 3-oxo-3-phenylpropionyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-2006]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[HEXOKINASE-RXN]]
 
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4459709 4459709]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.3658466.html 3658466]
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61567 61567]
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C02965 C02965]
+
** [http://www.genome.jp/dbget-bin/www_bget?C07118 C07118]
{{#set: smiles=C(OP(=O)([O-])[O-])C1(OC(O)C(O)C(O)C(O)1)}}
+
* CHEBI:
{{#set: inchi key=InChIKey=NBSCHQHZLSJFNQ-UHFFFAOYSA-L}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27388 27388]
{{#set: common name=D-hexose 6-phosphate}}
+
* METABOLIGHTS : MTBLC27388
{{#set: molecular weight=258.121   }}
+
* PUBCHEM:
{{#set: reversible reaction associated=HEXOKINASE-RXN}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25203310 25203310]
 +
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))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=3-oxo-3-phenylpropanoyl-CoA}}
 +
{{#set: inchi key=InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J}}
 +
{{#set: molecular weight=909.648   }}
 +
{{#set: common name=benzoyl-acetyl-CoA|oxocinnamoyl-CoA|3-keto-3-phenylpropionyl-CoA|β-oxophenyl-propionyl-CoA|3-oxo-3-phenylpropionyl-coenzyme A|3-oxo-3-phenylpropionyl-CoA}}
 +
{{#set: consumed by=RXN-2006}}

Latest revision as of 20:06, 21 March 2018

Metabolite CPD-514

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(=CC=CC=C1))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-]
  • common name:
    • 3-oxo-3-phenylpropanoyl-CoA
  • inchi key:
    • InChIKey=NHDPIYICCBKNNJ-FUEUKBNZSA-J
  • molecular weight:
    • 909.648
  • Synonym(s):
    • benzoyl-acetyl-CoA
    • oxocinnamoyl-CoA
    • 3-keto-3-phenylpropionyl-CoA
    • β-oxophenyl-propionyl-CoA
    • 3-oxo-3-phenylpropionyl-coenzyme A
    • 3-oxo-3-phenylpropionyl-CoA

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)CC(=O)C1(=CC=CC=C1))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.