Difference between revisions of "CPD-602"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOACETYL-COA ACETOACETYL-COA] == * smiles: ** CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-602 CPD-602] == * smiles: ** C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2) *...")
 
(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=ACETOACETYL-COA ACETOACETYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-602 CPD-602] ==
 
* smiles:
 
* smiles:
−
** CC(=O)CC(=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-]
+
** C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)
 
* inchi key:
 
* inchi key:
−
** InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J
+
** InChIKey=LZEXYCAGPMYXLX-UMMCILCDSA-L
 
* common name:
 
* common name:
−
** acetoacetyl-CoA
+
** 5-amino-6-(5-phospho-D-ribosylamino)uracil
 
* molecular weight:
 
* molecular weight:
−
** 847.577    
+
** 352.197    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-acetoacetyl-CoA
+
** 5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate
−
** acetoacetyl-S-CoA
+
** 5-amino-6-(5'-phosphoribosylamino)uracil
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN]]
+
* [[RIBOFLAVINSYNREDUC-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[ACETOACETATE--COA-LIGASE-RXN]]
+
* [[RIBOFLAVINSYNDEAM-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-11662]]
 
−
* [[HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN]]
 
−
* [[ACETYL-COA-ACETYLTRANSFER-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB03059
 
−
* CAS : 1420-36-6
 
−
* BIGG : 34646
 
−
* LIPID_MAPS : LMFA07050030
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266540 45266540]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245199 25245199]
−
* KNAPSACK : C00007269
+
−
* HMDB : HMDB01484
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00332 C00332]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57286 57286]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58453 58453]
−
* METABOLIGHTS : MTBLC57286
+
* BIGG : 37234
−
{{#set: smiles=CC(=O)CC(=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-]}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=OJFDKHTZOUZBOS-CITAKDKDSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C01268 C01268]
−
{{#set: common name=acetoacetyl-CoA}}
+
{{#set: smiles=C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)}}
−
{{#set: molecular weight=847.577   }}
+
{{#set: inchi key=InChIKey=LZEXYCAGPMYXLX-UMMCILCDSA-L}}
−
{{#set: common name=3-acetoacetyl-CoA|acetoacetyl-S-CoA}}
+
{{#set: common name=5-amino-6-(5-phospho-D-ribosylamino)uracil}}
−
{{#set: consumed by=3-HYDROXYBUTYRYL-COA-DEHYDROGENASE-RXN}}
+
{{#set: molecular weight=352.197   }}
−
{{#set: produced by=ACETOACETATE--COA-LIGASE-RXN}}
+
{{#set: common name=5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate|5-amino-6-(5'-phosphoribosylamino)uracil}}
−
{{#set: consumed or produced by=RXN-11662|HYDROXYMETHYLGLUTARYL-COA-SYNTHASE-RXN|ACETYL-COA-ACETYLTRANSFER-RXN}}
+
{{#set: consumed by=RIBOFLAVINSYNREDUC-RXN}}
 +
{{#set: produced by=RIBOFLAVINSYNDEAM-RXN}}

Latest revision as of 19:33, 21 March 2018

Metabolite CPD-602

  • smiles:
    • C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)
  • inchi key:
    • InChIKey=LZEXYCAGPMYXLX-UMMCILCDSA-L
  • common name:
    • 5-amino-6-(5-phospho-D-ribosylamino)uracil
  • molecular weight:
    • 352.197
  • Synonym(s):
    • 5-amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate
    • 5-amino-6-(5'-phosphoribosylamino)uracil

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(OP(=O)([O-])[O-])C2(OC(NC1(=C(N)C(=O)NC(=O)N1))C(O)C(O)2)" cannot be used as a page name in this wiki.




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