Difference between revisions of "PWY66-423"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-289 CPD-289] == * smiles: ** C1(=CC(C(C=C1)O)O) * inchi key: ** InChIKey=YDRSQRPHLBEPTP-PHD...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ALLANTOIN S-ALLANTOIN] == * smiles: ** C1(NC(N)=O)(NC(=O)NC(=O)1) * common name: ** (S)-(+)-a...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-289 CPD-289] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-ALLANTOIN S-ALLANTOIN] ==
 
* smiles:
 
* smiles:
−
** C1(=CC(C(C=C1)O)O)
+
** C1(NC(N)=O)(NC(=O)NC(=O)1)
−
* inchi key:
+
−
** InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N
+
 
* common name:
 
* common name:
−
** (1R,2R)-cyclohexa-3,5-diene-1,2-diol
+
** (S)-(+)-allantoin
 +
* inchi key:
 +
** InChIKey=POJWUDADGALRAB-SFOWXEAESA-N
 
* molecular weight:
 
* molecular weight:
−
** 112.128    
+
** 158.116    
 
* Synonym(s):
 
* Synonym(s):
−
** trans-1,2-dihydrobenzene-1,2-diol
+
** S-allantoin
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[ALLANTOINASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-6201]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[1.3.1.20-RXN]]
 
 
== External links  ==
 
== External links  ==
 +
* BIGG : alltn
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=149186 149186]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439714 439714]
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02350 C02350]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.131491.html 131491]
+
** [http://www.chemspider.com/Chemical-Structure.388780.html 388780]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=10702 10702]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15678 15678]
−
* LIGAND-CPD:
+
* METABOLIGHTS : MTBLC15678
−
** [http://www.genome.jp/dbget-bin/www_bget?C04221 C04221]
+
{{#set: smiles=C1(NC(N)=O)(NC(=O)NC(=O)1)}}
−
* HMDB : HMDB01164
+
{{#set: common name=(S)-(+)-allantoin}}
−
{{#set: smiles=C1(=CC(C(C=C1)O)O)}}
+
{{#set: inchi key=InChIKey=POJWUDADGALRAB-SFOWXEAESA-N}}
−
{{#set: inchi key=InChIKey=YDRSQRPHLBEPTP-PHDIDXHHSA-N}}
+
{{#set: molecular weight=158.116   }}
−
{{#set: common name=(1R,2R)-cyclohexa-3,5-diene-1,2-diol}}
+
{{#set: common name=S-allantoin}}
−
{{#set: molecular weight=112.128   }}
+
{{#set: consumed by=ALLANTOINASE-RXN}}
−
{{#set: common name=trans-1,2-dihydrobenzene-1,2-diol}}
+
{{#set: produced by=RXN-6201}}
−
{{#set: reversible reaction associated=1.3.1.20-RXN}}
+

Revision as of 15:27, 21 March 2018

Metabolite S-ALLANTOIN

  • smiles:
    • C1(NC(N)=O)(NC(=O)NC(=O)1)
  • common name:
    • (S)-(+)-allantoin
  • inchi key:
    • InChIKey=POJWUDADGALRAB-SFOWXEAESA-N
  • molecular weight:
    • 158.116
  • Synonym(s):
    • S-allantoin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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