Difference between revisions of "CPD-1103"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] == * smiles: ** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13912 CPD-13912] == * smiles: ** C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O * inchi key: ** InChI...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8890 CPD-8890] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13912 CPD-13912] ==
 
* smiles:
 
* smiles:
** C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)
+
** C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O
 
* inchi key:
 
* inchi key:
** InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L
+
** InChIKey=CQIRJDZGDXTXKF-UHFFFAOYSA-L
 
* common name:
 
* common name:
** betanidin quinone
+
** 2-carboxy-L-threo-pentonate
 
* molecular weight:
 
* molecular weight:
** 384.301    
+
** 208.124    
 
* Synonym(s):
 
* Synonym(s):
 +
** 2-carboxy-L-xylonate
 +
** 2-hydroxy-2-(1,2,3-trihydroxypropyl)propanedioate
  
 
== 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-8635]]
+
* [[RXN-12871]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25246300 25246300]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657336 90657336]
{{#set: smiles=C(=[N+]1(C(C([O-])=O)CC2(C1=CC(=O)C(=O)C=2)))C=C3(C=C(C(=O)[O-])NC(C([O-])=O)C3)}}
+
{{#set: smiles=C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O}}
{{#set: inchi key=InChIKey=MCTHLMSFLMEBEK-AAEUAGOBSA-L}}
+
{{#set: inchi key=InChIKey=CQIRJDZGDXTXKF-UHFFFAOYSA-L}}
{{#set: common name=betanidin quinone}}
+
{{#set: common name=2-carboxy-L-threo-pentonate}}
{{#set: molecular weight=384.301   }}
+
{{#set: molecular weight=208.124   }}
{{#set: produced by=RXN-8635}}
+
{{#set: common name=2-carboxy-L-xylonate|2-hydroxy-2-(1,2,3-trihydroxypropyl)propanedioate}}
 +
{{#set: produced by=RXN-12871}}

Revision as of 21:09, 17 March 2018

Metabolite CPD-13912

  • smiles:
    • C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O
  • inchi key:
    • InChIKey=CQIRJDZGDXTXKF-UHFFFAOYSA-L
  • common name:
    • 2-carboxy-L-threo-pentonate
  • molecular weight:
    • 208.124
  • Synonym(s):
    • 2-carboxy-L-xylonate
    • 2-hydroxy-2-(1,2,3-trihydroxypropyl)propanedioate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(C(O)C(C([O-])=O)(C([O-])=O)O)O)O" cannot be used as a page name in this wiki.