Difference between revisions of "ISOBUTANOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SORBITOL SORBITOL] == * smiles: ** C(C(C(C(C(CO)O)O)O)O)O * inchi key: ** InChIKey=FBPFZTCFMRRE...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTANOL ISOBUTANOL] == * smiles: ** CC(C)CO * common name: ** isobutanol * inchi key: ** InC...")
 
(4 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SORBITOL SORBITOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOBUTANOL ISOBUTANOL] ==
 
* smiles:
 
* smiles:
** C(C(C(C(C(CO)O)O)O)O)O
+
** CC(C)CO
* inchi key:
+
** InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N
+
 
* common name:
 
* common name:
** D-sorbitol
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** isobutanol
 +
* inchi key:
 +
** InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
** 182.173    
+
** 74.122    
 
* Synonym(s):
 
* Synonym(s):
** L-gulitol
+
** 2-methyl-1-propanol
** D-glucitol
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** 1-hydroxymethylpropane
** meglumine
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** 2-methylpropanol
** iso-sorbide
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** isobutyl alcohol
  
 
== 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 ==
* [[RXN-7644]]
+
* [[RXN-7657]]
 
== External links  ==
 
== External links  ==
* CAS : 50-70-4
 
* METABOLIGHTS : MTBLC17924
 
* DRUGBANK : DB01638
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5780 5780]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6560 6560]
* HMDB : HMDB00247
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00794 C00794]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.5576.html 5576]
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** [http://www.chemspider.com/Chemical-Structure.6312.html 6312]
 +
* HMDB : HMDB06006
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17924 17924]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=46645 46645]
* BIGG : sbt__D
+
* LIGAND-CPD:
{{#set: smiles=C(C(C(C(C(CO)O)O)O)O)O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C14710 C14710]
{{#set: inchi key=InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N}}
+
{{#set: smiles=CC(C)CO}}
{{#set: common name=D-sorbitol}}
+
{{#set: common name=isobutanol}}
{{#set: molecular weight=182.173   }}
+
{{#set: inchi key=InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N}}
{{#set: common name=L-gulitol|D-glucitol|meglumine|iso-sorbide}}
+
{{#set: molecular weight=74.122   }}
{{#set: consumed or produced by=RXN-7644}}
+
{{#set: common name=2-methyl-1-propanol|1-hydroxymethylpropane|2-methylpropanol|isobutyl alcohol}}
 +
{{#set: reversible reaction associated=RXN-7657}}

Latest revision as of 19:40, 21 March 2018

Metabolite ISOBUTANOL

  • smiles:
    • CC(C)CO
  • common name:
    • isobutanol
  • inchi key:
    • InChIKey=ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
  • molecular weight:
    • 74.122
  • Synonym(s):
    • 2-methyl-1-propanol
    • 1-hydroxymethylpropane
    • 2-methylpropanol
    • isobutyl alcohol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links