Difference between revisions of "CPD-7830"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-10-METHENYL-THF 5-10-METHENYL-THF] == * smiles: ** C4(NC1(N=C(N)NC(=O)C=1[N+]3(=CN(C2(=CC=C(C...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] == * smiles: ** CC(O)C(=O)C * inchi key: ** InChIKey=ROWKJAVDOGWPAT-GSVOUG...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=5-10-METHENYL-THF 5-10-METHENYL-THF] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] ==
 
* smiles:
 
* smiles:
−
** C4(NC1(N=C(N)NC(=O)C=1[N+]3(=CN(C2(=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C([O-])=O))C[CH]34)))
+
** CC(O)C(=O)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=MEANFMOQMXYMCT-OLZOCXBDSA-M
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** InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
 
* common name:
 
* common name:
−
** 5,10-methenyltetrahydrofolate mono-L-glutamate
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** (R)-acetoin
 
* molecular weight:
 
* molecular weight:
−
** 454.421    
+
** 88.106    
 
* Synonym(s):
 
* Synonym(s):
−
** N5-N10-CH-THF mono-L-glutamate
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** (R)-2-acetoin
−
** N5-N10-methenyltetrahydrofolate mono-L-glutamate
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** (R)-3-hydroxy-2-butanone
−
** CH-THF mono-L-glutamate
+
** (R)-3-hydroxybutan-2-one
−
** 5,10-methenyl-THF mono-L-glutamate
+
** (R)-dimethylketol
−
** anhydroleucovorin mono-L-glutamate
+
** (3R)-3-hydroxybutan-2-one
−
** methenyl-tetrahydrofolate mono-L-glutamate
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** (-)-acetoin
−
** methenyl-THF mono-L-glutamate
+
** D-(-)-acetoin
−
** methenyl-H4F mono-L-glutamate
+
** levorotatory acetoin
−
** 5,10-methenyl-H4PteGlu1
+
** (R)-acetylmethylcarbinol
  
 
== 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 ==
−
* [[MTHFCx]]
 
−
* [[FGFTm]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[METHFtm]]
+
* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
−
* [[R01655]]
+
−
* [[METHFth]]
+
−
* [[MTHFor_nadp]]
+
−
* [[R01220]]
+
−
* [[METHFtx]]
+
 
== External links  ==
 
== External links  ==
−
* CAS : 7444-29-3
 
−
* METABOLIGHTS : MTBLC57455
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878371 46878371]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439314 439314]
−
* HMDB : HMDB01354
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.388445.html 388445]
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** [http://www.genome.jp/dbget-bin/www_bget?C00445 C00445]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57455 57455]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15686 15686]
−
* BIGG : methf
+
* LIGAND-CPD:
−
{{#set: smiles=C4(NC1(N=C(N)NC(=O)C=1[N+]3(=CN(C2(=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C([O-])=O))C[CH]34)))}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00810 C00810]
−
{{#set: inchi key=InChIKey=MEANFMOQMXYMCT-OLZOCXBDSA-M}}
+
{{#set: smiles=CC(O)C(=O)C}}
−
{{#set: common name=5,10-methenyltetrahydrofolate mono-L-glutamate}}
+
{{#set: inchi key=InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N}}
−
{{#set: molecular weight=454.421   }}
+
{{#set: common name=(R)-acetoin}}
−
{{#set: common name=N5-N10-CH-THF mono-L-glutamate|N5-N10-methenyltetrahydrofolate mono-L-glutamate|CH-THF mono-L-glutamate|5,10-methenyl-THF mono-L-glutamate|anhydroleucovorin mono-L-glutamate|methenyl-tetrahydrofolate mono-L-glutamate|methenyl-THF mono-L-glutamate|methenyl-H4F mono-L-glutamate|5,10-methenyl-H4PteGlu1}}
+
{{#set: molecular weight=88.106   }}
−
{{#set: produced by=MTHFCx|FGFTm}}
+
{{#set: common name=(R)-2-acetoin|(R)-3-hydroxy-2-butanone|(R)-3-hydroxybutan-2-one|(R)-dimethylketol|(3R)-3-hydroxybutan-2-one|(-)-acetoin|D-(-)-acetoin|levorotatory acetoin|(R)-acetylmethylcarbinol}}
−
{{#set: consumed or produced by=METHFtm|R01655|METHFth|MTHFor_nadp|R01220|METHFtx}}
+
{{#set: consumed or produced by=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}

Revision as of 15:48, 10 January 2018

Metabolite CPD-10353

  • smiles:
    • CC(O)C(=O)C
  • inchi key:
    • InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
  • common name:
    • (R)-acetoin
  • molecular weight:
    • 88.106
  • Synonym(s):
    • (R)-2-acetoin
    • (R)-3-hydroxy-2-butanone
    • (R)-3-hydroxybutan-2-one
    • (R)-dimethylketol
    • (3R)-3-hydroxybutan-2-one
    • (-)-acetoin
    • D-(-)-acetoin
    • levorotatory acetoin
    • (R)-acetylmethylcarbinol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-7830&oldid=10430"