Difference between revisions of "CPD-458"

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(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...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-458 CPD-458] == * smiles: ** C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(C2O)O)O)O)O)))O * inchi key: *...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BUTANEDIOL BUTANEDIOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-458 CPD-458] ==
 
* smiles:
 
* smiles:
** CC(C(O)C)O
+
** C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(C2O)O)O)O)O)))O
 
* inchi key:
 
* inchi key:
** InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N
+
** InChIKey=VCWMRQDBPZKXKG-XIDCDEPRSA-N
 
* common name:
 
* common name:
** (R,R)-2,3-butanediol
+
** galactinol
 
* molecular weight:
 
* molecular weight:
** 90.122    
+
** 342.299    
 
* Synonym(s):
 
* Synonym(s):
** D(-)-2,3-butanediol
+
** 1-O-α-D-galactosyl-D-myo-inositol
** 2,3-butylene glycol
+
** 1-α-D-galactosyl-myo-inositol
** 2,3-butanediol
+
** α-D-galactosyl-(1->3)-1D-myo-inositol
** 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 ==
 +
* [[RXN-8281]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
+
* [[2.4.1.67-RXN]]
 
== External links  ==
 
== External links  ==
* CAS : 24347-58-8
 
* DRUGBANK : DB02418
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=225936 225936]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202439 25202439]
* HMDB : HMDB33007
+
* KEGG-GLYCAN : G10488
 +
* HMDB : HMDB05826
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C03044 C03044]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01235 C01235]
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.196452.html 196452]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16982 16982]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17505 17505]
{{#set: smiles=CC(C(O)C)O}}
+
* METABOLIGHTS : MTBLC17505
{{#set: inchi key=InChIKey=OWBTYPJTUOEWEK-QWWZWVQMSA-N}}
+
{{#set: smiles=C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(C2O)O)O)O)O)))O}}
{{#set: common name=(R,R)-2,3-butanediol}}
+
{{#set: inchi key=InChIKey=VCWMRQDBPZKXKG-XIDCDEPRSA-N}}
{{#set: molecular weight=90.122   }}
+
{{#set: common name=galactinol}}
{{#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: molecular weight=342.299   }}
{{#set: reversible reaction associated=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}
+
{{#set: common name=1-O-α-D-galactosyl-D-myo-inositol|1-α-D-galactosyl-myo-inositol|α-D-galactosyl-(1->3)-1D-myo-inositol}}
 +
{{#set: consumed by=RXN-8281}}
 +
{{#set: reversible reaction associated=2.4.1.67-RXN}}

Latest revision as of 20:59, 21 March 2018

Metabolite CPD-458

  • smiles:
    • C(C1(OC(C(C(C1O)O)O)OC2(C(C(C(C(C2O)O)O)O)O)))O
  • inchi key:
    • InChIKey=VCWMRQDBPZKXKG-XIDCDEPRSA-N
  • common name:
    • galactinol
  • molecular weight:
    • 342.299
  • Synonym(s):
    • 1-O-α-D-galactosyl-D-myo-inositol
    • 1-α-D-galactosyl-myo-inositol
    • α-D-galactosyl-(1->3)-1D-myo-inositol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • KEGG-GLYCAN : G10488
  • HMDB : HMDB05826
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC17505



"α-D-galactosyl-(1->3)-1D-myo-inositol" cannot be used as a page name in this wiki.