Difference between revisions of "ACET"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACET ACET] == * smiles: ** CC([O-])=O * inchi key: ** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M * co...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CC([O-])=O
 
** CC([O-])=O
 +
* molecular weight:
 +
** 59.044   
 
* inchi key:
 
* inchi key:
 
** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
 
** InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
 
* common name:
 
* common name:
 
** acetate
 
** acetate
* molecular weight:
 
** 59.044   
 
 
* Synonym(s):
 
* Synonym(s):
 
** acetic acid
 
** acetic acid
Line 16: Line 16:
 
* [[ACETATE--COA-LIGASE-RXN]]
 
* [[ACETATE--COA-LIGASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-7691]]
 
 
* [[RXN-7933]]
 
* [[RXN-7933]]
* [[RXN-9336]]
 
* [[RXN-12726]]
 
 
* [[RXN66-3]]
 
* [[RXN66-3]]
 +
* [[RXN-7691]]
 
* [[RXN-11270]]
 
* [[RXN-11270]]
 +
* [[RXN-9336]]
 +
* [[RXN-12726]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
 +
* [[RXN-13684]]
 +
* [[ACSERLY-RXN]]
 
* [[ACECOATRANS-RXN-CPD-10280/ACET//TETRACOSANOATE/ACETYL-COA.42.]]
 
* [[ACECOATRANS-RXN-CPD-10280/ACET//TETRACOSANOATE/ACETYL-COA.42.]]
 
* [[3.5.1.98-RXN]]
 
* [[3.5.1.98-RXN]]
* [[RXN-13684]]
+
* [[RXN-14728]]
 
* [[SULFOCYS-RXN]]
 
* [[SULFOCYS-RXN]]
 
* [[ACETYLORNDEACET-RXN]]
 
* [[ACETYLORNDEACET-RXN]]
* [[RXN-14728]]
 
* [[ACSERLY-RXN]]
 
* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
 
 
== External links  ==
 
== External links  ==
 +
* METABOLIGHTS : MTBLC30089
 
* CAS : 64-19-7
 
* CAS : 64-19-7
 
* CAS : 71-50-1
 
* CAS : 71-50-1
* METABOLIGHTS : MTBLC30089
 
* DRUGBANK : DB03166
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=175 175]
 
* HMDB : HMDB00042
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C00033 C00033]
 
** [http://www.genome.jp/dbget-bin/www_bget?C00033 C00033]
 +
* HMDB : HMDB00042
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.170.html 170]
 
** [http://www.chemspider.com/Chemical-Structure.170.html 170]
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30089 30089]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30089 30089]
 +
* DRUGBANK : DB03166
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=175 175]
 
* BIGG : ac
 
* BIGG : ac
 
{{#set: smiles=CC([O-])=O}}
 
{{#set: smiles=CC([O-])=O}}
 +
{{#set: molecular weight=59.044    }}
 
{{#set: inchi key=InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M}}
 
{{#set: inchi key=InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M}}
 
{{#set: common name=acetate}}
 
{{#set: common name=acetate}}
{{#set: molecular weight=59.044    }}
 
 
{{#set: common name=acetic acid|ethanoic acid}}
 
{{#set: common name=acetic acid|ethanoic acid}}
 
{{#set: consumed by=ACETATE--COA-LIGASE-RXN}}
 
{{#set: consumed by=ACETATE--COA-LIGASE-RXN}}
{{#set: produced by=RXN-7691|RXN-7933|RXN-9336|RXN-12726|RXN66-3|RXN-11270}}
+
{{#set: produced by=RXN-7933|RXN66-3|RXN-7691|RXN-11270|RXN-9336|RXN-12726}}
{{#set: reversible reaction associated=ACECOATRANS-RXN-CPD-10280/ACET//TETRACOSANOATE/ACETYL-COA.42.|3.5.1.98-RXN|RXN-13684|SULFOCYS-RXN|ACETYLORNDEACET-RXN|RXN-14728|ACSERLY-RXN|ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}
+
{{#set: reversible reaction associated=ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.|RXN-13684|ACSERLY-RXN|ACECOATRANS-RXN-CPD-10280/ACET//TETRACOSANOATE/ACETYL-COA.42.|3.5.1.98-RXN|RXN-14728|SULFOCYS-RXN|ACETYLORNDEACET-RXN}}

Latest revision as of 18:17, 9 January 2019

Metabolite ACET

  • smiles:
    • CC([O-])=O
  • molecular weight:
    • 59.044
  • inchi key:
    • InChIKey=QTBSBXVTEAMEQO-UHFFFAOYSA-M
  • common name:
    • acetate
  • Synonym(s):
    • acetic acid
    • ethanoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • METABOLIGHTS : MTBLC30089
  • CAS : 64-19-7
  • CAS : 71-50-1
  • LIGAND-CPD:
  • HMDB : HMDB00042
  • CHEMSPIDER:
  • CHEBI:
  • DRUGBANK : DB03166
  • PUBCHEM:
  • BIGG : ac
"CC([O-])=O" cannot be used as a page name in this wiki.