Difference between revisions of "Ec-07 001830"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4081 CPD-4081] == * smiles: ** CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHINE XANTHINE] == * smiles: ** C12(NC(=O)NC(C=1N=CN2)=O) * inchi key: ** InChIKey=LRFVTYWOQ...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4081 CPD-4081] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=XANTHINE XANTHINE] ==
 
* smiles:
 
* smiles:
−
** CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))
+
** C12(NC(=O)NC(C=1N=CN2)=O)
 
* inchi key:
 
* inchi key:
−
** InChIKey=QLDNWJOJCDIMKK-XLFBYWHPSA-N
+
** InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** 4α-methyl-5α-ergosta-8,24-dien-3β-ol
+
** xanthine
 
* molecular weight:
 
* molecular weight:
−
** 412.698    
+
** 152.112    
 
* Synonym(s):
 
* Synonym(s):
−
** 4α-methyl-5α-ergosta-8,14,24(28)-dien-3β-ol
+
** 2,6-dioxopurine
−
** 4α-methyl-5α-ergosta-8,24-dien-3β-ol
+
−
** 4α-methylfecosterol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[XANTHINE-OXIDASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-4144]]
+
* [[RXN-7682]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN0-901]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 69-89-6
 +
* BIGG : 34825
 +
* DRUGBANK : DB02134
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=193524 193524]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1188 1188]
−
* CHEBI:
+
* HMDB : HMDB00292
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=80094 80094]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C15776 C15776]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00385 C00385]
−
* HMDB : HMDB06845
+
* CHEMSPIDER:
−
{{#set: smiles=CC(C)C(=C)CCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(O)CCC(C)1C=2CCC(C)34))))}}
+
** [http://www.chemspider.com/Chemical-Structure.1151.html 1151]
−
{{#set: inchi key=InChIKey=QLDNWJOJCDIMKK-XLFBYWHPSA-N}}
+
* CHEBI:
−
{{#set: common name=4α-methyl-5α-ergosta-8,24-dien-3β-ol}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17712 17712]
−
{{#set: molecular weight=412.698   }}
+
* METABOLIGHTS : MTBLC17712
−
{{#set: common name=4α-methyl-5α-ergosta-8,14,24(28)-dien-3β-ol|4α-methyl-5α-ergosta-8,24-dien-3β-ol|4α-methylfecosterol}}
+
{{#set: smiles=C12(NC(=O)NC(C=1N=CN2)=O)}}
−
{{#set: produced by=RXN-4144}}
+
{{#set: inchi key=InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N}}
 +
{{#set: common name=xanthine}}
 +
{{#set: molecular weight=152.112   }}
 +
{{#set: common name=2,6-dioxopurine}}
 +
{{#set: consumed by=XANTHINE-OXIDASE-RXN}}
 +
{{#set: produced by=RXN-7682}}
 +
{{#set: reversible reaction associated=RXN0-901}}

Revision as of 13:57, 21 March 2018

Metabolite XANTHINE

  • smiles:
    • C12(NC(=O)NC(C=1N=CN2)=O)
  • inchi key:
    • InChIKey=LRFVTYWOQMYALW-UHFFFAOYSA-N
  • common name:
    • xanthine
  • molecular weight:
    • 152.112
  • Synonym(s):
    • 2,6-dioxopurine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 69-89-6
  • BIGG : 34825
  • DRUGBANK : DB02134
  • PUBCHEM:
  • HMDB : HMDB00292
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC17712





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