Difference between revisions of "CPD-10353"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1099 CPD-1099] == * smiles: ** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] == * smiles: ** CC(O)C(=O)C * inchi key: ** InChIKey=ROWKJAVDOGWPAT-GSVOUG...")
 
(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=CPD-1099 CPD-1099] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10353 CPD-10353] ==
 
* smiles:
 
* smiles:
−
** C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)
+
** CC(O)C(=O)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
+
** InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
 
* common name:
 
* common name:
−
** raffinose
+
** (R)-acetoin
 
* molecular weight:
 
* molecular weight:
−
** 504.441    
+
** 88.106    
 
* Synonym(s):
 
* Synonym(s):
−
** melitose
+
** (R)-2-acetoin
−
** melitriose
+
** (R)-3-hydroxy-2-butanone
−
** gossypose
+
** (R)-3-hydroxybutan-2-one
−
** 6G-α-D-galactosylsucrose
+
** (R)-dimethylketol
−
** (2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
+
** (3R)-3-hydroxybutan-2-one
−
** α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf
+
** (-)-acetoin
−
** α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside
+
** D-(-)-acetoin
−
** D-raffinose
+
** levorotatory acetoin
 +
** (R)-acetylmethylcarbinol
  
 
== 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-11501]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[2.4.1.67-RXN]]
+
* [[RR-BUTANEDIOL-DEHYDROGENASE-RXN]]
 
== External links  ==
 
== External links  ==
−
* CAS : 512-69-6
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439242 439242]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439314 439314]
−
* KEGG-GLYCAN : G00249
+
−
* HMDB : HMDB03213
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00492 C00492]
+
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.388379.html 388379]
+
** [http://www.chemspider.com/Chemical-Structure.388445.html 388445]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16634 16634]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15686 15686]
−
* METABOLIGHTS : MTBLC16634
+
* LIGAND-CPD:
−
{{#set: smiles=C(OC1(C(C(C(C(CO)O1)O)O)O))C2(C(C(C(C(O2)OC3(CO)(C(C(C(CO)O3)O)O))O)O)O)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C00810 C00810]
−
{{#set: inchi key=InChIKey=MUPFEKGTMRGPLJ-ZQSKZDJDSA-N}}
+
{{#set: smiles=CC(O)C(=O)C}}
−
{{#set: common name=raffinose}}
+
{{#set: inchi key=InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N}}
−
{{#set: molecular weight=504.441   }}
+
{{#set: common name=(R)-acetoin}}
−
{{#set: common name=melitose|melitriose|gossypose|6G-α-D-galactosylsucrose|(2S,3R,4S,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3S,4R,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxy-oxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol|α-D-Galp-(1->6)-α-D-Glcp-(1->2)-β-D-Fruf|α-D-galactopyranosyl-(1->6)-α-D-glucopyranosyl-(1->2)-β-D-fructofuranoside|D-raffinose}}
+
{{#set: molecular weight=88.106   }}
−
{{#set: produced by=RXN-11501}}
+
{{#set: common name=(R)-2-acetoin|(R)-3-hydroxy-2-butanone|(R)-3-hydroxybutan-2-one|(R)-dimethylketol|(3R)-3-hydroxybutan-2-one|(-)-acetoin|D-(-)-acetoin|levorotatory acetoin|(R)-acetylmethylcarbinol}}
−
{{#set: reversible reaction associated=2.4.1.67-RXN}}
+
{{#set: reversible reaction associated=RR-BUTANEDIOL-DEHYDROGENASE-RXN}}

Latest revision as of 19:04, 21 March 2018

Metabolite CPD-10353

  • smiles:
    • CC(O)C(=O)C
  • inchi key:
    • InChIKey=ROWKJAVDOGWPAT-GSVOUGTGSA-N
  • common name:
    • (R)-acetoin
  • molecular weight:
    • 88.106
  • Synonym(s):
    • (R)-2-acetoin
    • (R)-3-hydroxy-2-butanone
    • (R)-3-hydroxybutan-2-one
    • (R)-dimethylketol
    • (3R)-3-hydroxybutan-2-one
    • (-)-acetoin
    • D-(-)-acetoin
    • levorotatory acetoin
    • (R)-acetylmethylcarbinol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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