Difference between revisions of "CPD0-1699"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8847 CPD-8847] == * smiles: ** C=CC(C)=O * common name: ** but-1-en-3-one * inchi key: ** I...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8847 CPD-8847] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-1699 CPD0-1699] ==
 
* smiles:
 
* smiles:
** C=CC(C)=O
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** C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))
* common name:
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** but-1-en-3-one
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* inchi key:
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** InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N
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* molecular weight:
 
* molecular weight:
** 70.091    
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** 210.172    
 +
* inchi key:
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** InChIKey=QSIYONWVWDSRRO-UHFFFAOYSA-M
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* common name:
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** 6-carboxy-5,6,7,8-tetrahydropterin
 
* Synonym(s):
 
* Synonym(s):
** methyl vinyl ketone
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** 6-carboxytetrahydropterin
** 3-buten-2-one
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** 1-buten-3-one
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** but-3-en-2-one
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** 3-oxo-1-butene
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== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-12293]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-8619]]
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* [[RXN0-5507]]
* [[RXN-8620]]
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* [[RXN-11911]]
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C20701 C20701]
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.6322.html 6322]
 
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=48058 48058]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61032 61032]
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6570 6570]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44123380 44123380]
{{#set: smiles=C=CC(C)=O}}
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{{#set: smiles=C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))}}
{{#set: common name=but-1-en-3-one}}
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{{#set: molecular weight=210.172    }}
{{#set: inchi key=InChIKey=FUSUHKVFWTUUBE-UHFFFAOYSA-N}}
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{{#set: inchi key=InChIKey=QSIYONWVWDSRRO-UHFFFAOYSA-M}}
{{#set: molecular weight=70.091    }}
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{{#set: common name=6-carboxy-5,6,7,8-tetrahydropterin}}
{{#set: common name=methyl vinyl ketone|3-buten-2-one|1-buten-3-one|but-3-en-2-one|3-oxo-1-butene}}
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{{#set: common name=6-carboxytetrahydropterin}}
{{#set: consumed by=RXN-12293}}
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{{#set: produced by=RXN0-5507}}
{{#set: produced by=RXN-8619|RXN-8620|RXN-11911}}
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Latest revision as of 16:52, 9 January 2019

Metabolite CPD0-1699

  • smiles:
    • C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))
  • molecular weight:
    • 210.172
  • inchi key:
    • InChIKey=QSIYONWVWDSRRO-UHFFFAOYSA-M
  • common name:
    • 6-carboxy-5,6,7,8-tetrahydropterin
  • Synonym(s):
    • 6-carboxytetrahydropterin

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C1(NC2(N=C(N)NC(=O)C(NC1C(=O)[O-])=2))" cannot be used as a page name in this wiki.