Difference between revisions of "CPD-431"

Revision as of 11:29, 18 January 2018

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-[[Category:Gene]]
+[[Category:Metabolite]]
-== Gene CHC_T00007415001_1 ==
+== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
+* smiles:
+** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
+* inchi key:
+** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
+* common name:
+** theobromine
+* molecular weight:
+** 180.166
 * Synonym(s):
+** 3,7-dimethylxanthine
-== Reactions associated ==
+== Reaction(s) known to consume the compound ==
-* [[2.7.1.90-RXN]]
+* [[RXN-11519]]
-** [[pantograph]]-[[galdieria.sulphuraria]]
+== Reaction(s) known to produce the compound ==
-== Pathways associated ==
+== Reaction(s) of unknown directionality ==
-* [[PWY-1042]]
 == External links  ==
-{{#set: reaction associated=2.7.1.90-RXN}}
+* DRUGBANK : DB01412
-{{#set: pathway associated=PWY-1042}}
+* PUBCHEM:
+** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
+* HMDB : HMDB02825
+* LIGAND-CPD:
+** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
+* CHEMSPIDER:
+** [http://www.chemspider.com/Chemical-Structure.5236.html 5236]
+* CHEBI:
+** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946]
+* METABOLIGHTS : MTBLC28946
+{{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}}
+{{#set: inchi key=InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N}}
+{{#set: common name=theobromine}}
+{{#set: molecular weight=180.166    }}
+{{#set: common name=3,7-dimethylxanthine}}
+{{#set: consumed by=RXN-11519}}