Difference between revisions of "ACETONE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-369 CPD-369] == * smiles: ** C(C(C(C(C(O)CO)O)O)O)O * inchi key: ** InChIKey=FBPFZTCFMRRESA...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PROPANOL PROPANOL] == * smiles: ** CCCO * inchi key: ** InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N *...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-369 CPD-369] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PROPANOL PROPANOL] ==
 
* smiles:
 
* smiles:
** C(C(C(C(C(O)CO)O)O)O)O
+
** CCCO
 
* inchi key:
 
* inchi key:
** InChIKey=FBPFZTCFMRRESA-UNTFVMJOSA-N
+
** InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N
 
* common name:
 
* common name:
** L-iditol
+
** propan-1-ol
 
* molecular weight:
 
* molecular weight:
** 182.173    
+
** 60.096    
 
* Synonym(s):
 
* Synonym(s):
 +
** osmosol extra
 +
** optal
 +
** 1-hydroxypropane
 +
** ethylcarbinol
 +
** 1-propanol
 +
** n-propanol
 +
** propanol
 +
** propylalcohol
  
 
== 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 ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[L-IDITOL-2-DEHYDROGENASE-RXN]]
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* [[RXN-13198]]
 
== External links  ==
 
== External links  ==
* CAS : 488-45-9
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* CAS : 71-23-8
 +
* DRUGBANK : DB03175
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5460044 5460044]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=1031 1031]
* HMDB : HMDB11632
+
* HMDB : HMDB00820
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01507 C01507]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05979 C05979]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4573729.html 4573729]
+
** [http://www.chemspider.com/Chemical-Structure.1004.html 1004]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18202 18202]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28831 28831]
* METABOLIGHTS : MTBLC18202
+
{{#set: smiles=CCCO}}
{{#set: smiles=C(C(C(C(C(O)CO)O)O)O)O}}
+
{{#set: inchi key=InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N}}
{{#set: inchi key=InChIKey=FBPFZTCFMRRESA-UNTFVMJOSA-N}}
+
{{#set: common name=propan-1-ol}}
{{#set: common name=L-iditol}}
+
{{#set: molecular weight=60.096   }}
{{#set: molecular weight=182.173   }}
+
{{#set: common name=osmosol extra|optal|1-hydroxypropane|ethylcarbinol|1-propanol|n-propanol|propanol|propylalcohol}}
{{#set: consumed or produced by=L-IDITOL-2-DEHYDROGENASE-RXN}}
+
{{#set: consumed or produced by=RXN-13198}}

Revision as of 16:26, 10 January 2018

Metabolite PROPANOL

  • smiles:
    • CCCO
  • inchi key:
    • InChIKey=BDERNNFJNOPAEC-UHFFFAOYSA-N
  • common name:
    • propan-1-ol
  • molecular weight:
    • 60.096
  • Synonym(s):
    • osmosol extra
    • optal
    • 1-hydroxypropane
    • ethylcarbinol
    • 1-propanol
    • n-propanol
    • propanol
    • propylalcohol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 71-23-8
  • DRUGBANK : DB03175
  • PUBCHEM:
  • HMDB : HMDB00820
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI: