Difference between revisions of "CPD-10205"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10205 CPD-10205] == * smiles: ** C=C1(C(=O)C([O-])=C(C)O1) * common name: ** 4-hydroxy-5-me...")
 
 
Line 2: Line 2:
 
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10205 CPD-10205] ==
 
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10205 CPD-10205] ==
 
* smiles:
 
* smiles:
** C=C1(C(=O)C([O-])=C(C)O1)
+
** C=C1(C(=O)C(O)=C(C)O1)
 +
* molecular weight:
 +
** 126.112   
 +
* inchi key:
 +
** InChIKey=NPMQEIOINVDLMV-UHFFFAOYSA-N
 
* common name:
 
* common name:
 
** 4-hydroxy-5-methyl-2-methylene-3(2H)-furanone
 
** 4-hydroxy-5-methyl-2-methylene-3(2H)-furanone
* inchi key:
 
** InChIKey=NPMQEIOINVDLMV-UHFFFAOYSA-M
 
* molecular weight:
 
** 125.104   
 
 
* Synonym(s):
 
* Synonym(s):
 
** HMMF
 
** HMMF
Line 18: Line 18:
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200829 25200829]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76245 76245]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76245 76245]
{{#set: smiles=C=C1(C(=O)C([O-])=C(C)O1)}}
+
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=17755065 17755065]
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C20718 C20718]
 +
{{#set: smiles=C=C1(C(=O)C(O)=C(C)O1)}}
 +
{{#set: molecular weight=126.112    }}
 +
{{#set: inchi key=InChIKey=NPMQEIOINVDLMV-UHFFFAOYSA-N}}
 
{{#set: common name=4-hydroxy-5-methyl-2-methylene-3(2H)-furanone}}
 
{{#set: common name=4-hydroxy-5-methyl-2-methylene-3(2H)-furanone}}
{{#set: inchi key=InChIKey=NPMQEIOINVDLMV-UHFFFAOYSA-M}}
 
{{#set: molecular weight=125.104    }}
 
 
{{#set: common name=HMMF|(2E)-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone}}
 
{{#set: common name=HMMF|(2E)-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone}}
 
{{#set: consumed by=RXN-9563}}
 
{{#set: consumed by=RXN-9563}}

Latest revision as of 11:45, 10 January 2019

Metabolite CPD-10205

  • smiles:
    • C=C1(C(=O)C(O)=C(C)O1)
  • molecular weight:
    • 126.112
  • inchi key:
    • InChIKey=NPMQEIOINVDLMV-UHFFFAOYSA-N
  • common name:
    • 4-hydroxy-5-methyl-2-methylene-3(2H)-furanone
  • Synonym(s):
    • HMMF
    • (2E)-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links