Difference between revisions of "BUTANEDIOL"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] == * smiles: ** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1) * inchi key...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANEDIOL BUTANEDIOL] == * smiles: ** CC(C(O)C)O * inchi key: ** InChIKey=OWBTYPJTUOEWEK-QWWZW...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-9700 CPD-9700] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANEDIOL BUTANEDIOL] ==
 
* smiles:
 
* smiles:
−
** C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)
+
** CC(C(O)C)O
 
* inchi key:
 
* inchi key:
−
** InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M
+
** InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N
 
* common name:
 
* common name:
−
** hypoglycin B
+
** (R,R)-2,3-butanediol
 
* molecular weight:
 
* molecular weight:
−
** 269.277    
+
** 90.122    
 
* Synonym(s):
 
* Synonym(s):
−
** hypoglycine B
+
** D(-)-2,3-butanediol
−
** L-gamma-glutamyl-L-hypoglycin
+
** 2,3-butylene glycol
−
** γ-glutamyl-β-(methylenecyclopropyl)-alanine
+
** 2,3-butanediol
−
** (2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
+
** butanediol
 +
** (R,R)-butane-2,3-diol
 +
** (R,R)-2,3-butylene glycol
  
 
== 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 ==
−
* [[RXN-9157]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
 +
* CAS : 24347-58-8
 +
* DRUGBANK : DB02418
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658135 90658135]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=225936 225936]
−
* Wikipedia : Hypoglycin_B
+
* HMDB : HMDB33007
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C08280 C08280]
+
** [http://www.genome.jp/dbget-bin/www_bget?C03044 C03044]
−
* HMDB : HMDB29428
+
* CHEMSPIDER:
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{{#set: smiles=C=C1(C(CC(C(=O)[O-])NC(CCC([N+])C([O-])=O)=O)C1)}}
+
** [http://www.chemspider.com/Chemical-Structure.196452.html 196452]
−
{{#set: inchi key=InChIKey=UYDZYCPIQSRXKU-NPPUSCPJSA-M}}
+
* CHEBI:
−
{{#set: common name=hypoglycin B}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16982 16982]
−
{{#set: molecular weight=269.277   }}
+
{{#set: smiles=CC(C(O)C)O}}
−
{{#set: common name=hypoglycine B|L-gamma-glutamyl-L-hypoglycin|γ-glutamyl-β-(methylenecyclopropyl)-alanine|(2S)-2-amino-5-[[(2S)-1-hydroxy-3-[(1S)-2-methylidenecyclopropyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid}}
+
{{#set: inchi key=InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N}}
−
{{#set: produced by=RXN-9157}}
+
{{#set: common name=(R,R)-2,3-butanediol}}
 +
{{#set: molecular weight=90.122   }}
 +
{{#set: common name=D(-)-2,3-butanediol|2,3-butylene glycol|2,3-butanediol|butanediol|(R,R)-butane-2,3-diol|(R,R)-2,3-butylene glycol}}
 +
{{#set: reversible reaction associated=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}

Latest revision as of 20:59, 21 March 2018

Metabolite BUTANEDIOL

  • smiles:
    • CC(C(O)C)O
  • inchi key:
    • InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N
  • common name:
    • (R,R)-2,3-butanediol
  • molecular weight:
    • 90.122
  • Synonym(s):
    • D(-)-2,3-butanediol
    • 2,3-butylene glycol
    • 2,3-butanediol
    • butanediol
    • (R,R)-butane-2,3-diol
    • (R,R)-2,3-butylene glycol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 24347-58-8
  • DRUGBANK : DB02418
  • PUBCHEM:
  • HMDB : HMDB33007
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:




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