Difference between revisions of "Tiso gene 1790"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10332 CPD-10332] == * smiles: ** C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] == * smiles: ** CC(=O)C * inchi key: ** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N *...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10332 CPD-10332] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETONE ACETONE] ==
 
* smiles:
 
* smiles:
−
** C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))
+
** CC(=O)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=AXEUUXHMKSPQAI-YTJHIPEWSA-L
+
** InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
 
* common name:
 
* common name:
−
** gibberellin44 (open lactone form)
+
** acetone
 
* molecular weight:
 
* molecular weight:
−
** 362.422    
+
** 58.08    
 
* Synonym(s):
 
* Synonym(s):
−
** gibberellin A44 open lactone
+
** dimethylketone
−
** gibberellin A44 diacid
+
** 2-propanone
−
** GA44 open lactone
+
** propanone
−
** GA44 (open lactone form)
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN1F-168]]
+
* [[RXN-8630]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN1F-167]]
+
* [[ACETOACETATE-DECARBOXYLASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* LIPID_MAPS : LMPR0104170008
+
* CAS : 67-64-1
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25243940 25243940]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=180 180]
−
* CHEBI:
+
* HMDB : HMDB01659
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27531 27531]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06095 C06095]
+
** [http://www.genome.jp/dbget-bin/www_bget?C00207 C00207]
−
{{#set: smiles=C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))}}
+
* CHEMSPIDER:
−
{{#set: inchi key=InChIKey=AXEUUXHMKSPQAI-YTJHIPEWSA-L}}
+
** [http://www.chemspider.com/Chemical-Structure.175.html 175]
−
{{#set: common name=gibberellin44 (open lactone form)}}
+
* CHEBI:
−
{{#set: molecular weight=362.422   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15347 15347]
−
{{#set: common name=gibberellin A44 open lactone|gibberellin A44 diacid|GA44 open lactone|GA44 (open lactone form)}}
+
* METABOLIGHTS : MTBLC15347
−
{{#set: consumed by=RXN1F-168}}
+
{{#set: smiles=CC(=O)C}}
−
{{#set: produced by=RXN1F-167}}
+
{{#set: inchi key=InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N}}
 +
{{#set: common name=acetone}}
 +
{{#set: molecular weight=58.08   }}
 +
{{#set: common name=dimethylketone|2-propanone|propanone}}
 +
{{#set: consumed by=RXN-8630}}
 +
{{#set: produced by=ACETOACETATE-DECARBOXYLASE-RXN}}

Revision as of 17:26, 10 January 2018

Metabolite ACETONE

  • smiles:
    • CC(=O)C
  • inchi key:
    • InChIKey=CSCPPACGZOOCGX-UHFFFAOYSA-N
  • common name:
    • acetone
  • molecular weight:
    • 58.08
  • Synonym(s):
    • dimethylketone
    • 2-propanone
    • propanone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 67-64-1
  • PUBCHEM:
  • HMDB : HMDB01659
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC15347




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