Difference between revisions of "Ec-03 000200"

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

Revision as of 22:00, 17 March 2018

Metabolite CPD-10332

  • smiles:
    • C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))
  • inchi key:
    • InChIKey=AXEUUXHMKSPQAI-YTJHIPEWSA-L
  • common name:
    • gibberellin44 (open lactone form)
  • molecular weight:
    • 362.422
  • Synonym(s):
    • gibberellin A44 open lactone
    • gibberellin A44 diacid
    • GA44 open lactone
    • GA44 (open lactone form)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C1(C2(O)(CC3(C1)(C([CH]4(C(C)(CCCC(CO)([CH](CC2)3)4)C([O-])=O))C([O-])=O)))" cannot be used as a page name in this wiki.