Difference between revisions of "Tiso gene 5164"

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(Created page with "Category:Metabolite == 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)) *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] == * smiles: ** CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-7-DIMETHYLXANTHINE 3-7-DIMETHYLXANTHINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] ==
 
* smiles:
 
* smiles:
−
** CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))
+
** CC(C)=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-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=YAPQBXQYLJRXSA-UHFFFAOYSA-N
+
** InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
 
* common name:
 
* common name:
−
** theobromine
+
** 3-hydroxy-5-methylhex-4-enoyl-CoA
 
* molecular weight:
 
* molecular weight:
−
** 180.166    
+
** 889.657    
 
* Synonym(s):
 
* Synonym(s):
−
** 3,7-dimethylxanthine
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11519]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11919]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB01412
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5429 5429]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986102 50986102]
−
* HMDB : HMDB02825
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C07480 C07480]
+
** [http://www.genome.jp/dbget-bin/www_bget?C16469 C16469]
−
* CHEMSPIDER:
+
* HMDB : HMDB60373
−
** [http://www.chemspider.com/Chemical-Structure.5236.html 5236]
+
{{#set: smiles=CC(C)=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-]}}
−
* CHEBI:
+
{{#set: inchi key=InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28946 28946]
+
{{#set: common name=3-hydroxy-5-methylhex-4-enoyl-CoA}}
−
* METABOLIGHTS : MTBLC28946
+
{{#set: molecular weight=889.657   }}
−
{{#set: smiles=CN2(C=NC1(=C(C(NC(N(C)1)=O)=O)2))}}
+
{{#set: produced by=RXN-11919}}
−
{{#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}}
+

Revision as of 16:48, 10 January 2018

Metabolite CPD-12905

  • smiles:
    • CC(C)=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-]
  • inchi key:
    • InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
  • common name:
    • 3-hydroxy-5-methylhex-4-enoyl-CoA
  • molecular weight:
    • 889.657
  • 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)=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-" cannot be used as a page name in this wiki.



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