Difference between revisions of "Tiso gene 284"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-GULONATE L-GULONATE] == * smiles: ** C(O)C(O)C(O)C(O)C(O)C(=O)[O-] * inchi key: ** InChIKey=R...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-27 CPD66-27] == * smiles: ** CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4)) *...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-GULONATE L-GULONATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD66-27 CPD66-27] ==
 
* smiles:
 
* smiles:
** C(O)C(O)C(O)C(O)C(O)C(=O)[O-]
+
** CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))
 
* inchi key:
 
* inchi key:
** InChIKey=RGHNJXZEOKUKBD-QTBDOELSSA-M
+
** InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N
 
* common name:
 
* common name:
** L-gulonate
+
** pregn-5-ene-3,20-dione-17-ol
 
* molecular weight:
 
* molecular weight:
** 195.149    
+
** 330.466    
 
* Synonym(s):
 
* Synonym(s):
** gulonate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8783]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN66-350]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6857680 6857680]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=14562950 14562950]
* CHEMSPIDER:
+
{{#set: smiles=CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))}}
** [http://www.chemspider.com/Chemical-Structure.5257015.html 5257015]
+
{{#set: inchi key=InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N}}
* CHEBI:
+
{{#set: common name=pregn-5-ene-3,20-dione-17-ol}}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=13115 13115]
+
{{#set: molecular weight=330.466   }}
* METABOLIGHTS : MTBLC13115
+
{{#set: reversible reaction associated=RXN66-350}}
* LIGAND-CPD:
+
** [http://www.genome.jp/dbget-bin/www_bget?C00800 C00800]
+
{{#set: smiles=C(O)C(O)C(O)C(O)C(O)C(=O)[O-]}}
+
{{#set: inchi key=InChIKey=RGHNJXZEOKUKBD-QTBDOELSSA-M}}
+
{{#set: common name=L-gulonate}}
+
{{#set: molecular weight=195.149   }}
+
{{#set: common name=gulonate}}
+
{{#set: produced by=RXN-8783}}
+

Revision as of 18:55, 18 March 2018

Metabolite CPD66-27

  • smiles:
    • CC(=O)C4(O)(CCC2(C(C)(CCC1(C3(C)(C(=CCC12)CC(=O)CC3)))4))
  • inchi key:
    • InChIKey=RCFJDVCRANOZEL-UHFFFAOYSA-N
  • common name:
    • pregn-5-ene-3,20-dione-17-ol
  • molecular weight:
    • 330.466
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links