Difference between revisions of "DIHYDROXYACETONE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-824-CHOLESTADIENOL 44-DIMETHYL-824-CHOLESTADIENOL] == * smiles: ** CC(C)=CCCC(C)[CH...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROXYACETONE DIHYDROXYACETONE] == * smiles: ** C(C(CO)=O)O * common name: ** dihydroxyaceto...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=44-DIMETHYL-824-CHOLESTADIENOL 44-DIMETHYL-824-CHOLESTADIENOL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=DIHYDROXYACETONE DIHYDROXYACETONE] ==
 
* smiles:
 
* smiles:
−
** CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)(C)C(O)CCC(C)1C=2CCC(C)34))))
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** C(C(CO)=O)O
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* inchi key:
+
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** InChIKey=CHGIKSSZNBCNDW-QGBOJXOESA-N
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* common name:
 
* common name:
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** 4,4-dimethylzymosterol
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** dihydroxyacetone
 +
* inchi key:
 +
** InChIKey=RXKJFZQQPQGTFL-UHFFFAOYSA-N
 
* molecular weight:
 
* molecular weight:
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** 412.698    
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** 90.079    
 
* Synonym(s):
 
* Synonym(s):
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** 4,4-dimethyl-8,24-cholestadienol
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** glycerone
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** 4,4-dimethyl-5α-cholesta-8,24-dien-3β-ol
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** 1,3-dihydroxyacetone
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** 14-demethyllanosterol
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** dihydroxy-acetone
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** 17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthren-3-ol
+
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** 4,4-dimethyl-5α-cholesta-8,24-dien-3-β-ol
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[GLYCERONE-KINASE-RXN]]
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* [[2.7.1.121-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN66-306]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=670 670]
 +
* CAS : 96-26-4
 +
* BIGG : dha
 +
* DRUGBANK : DB01775
 +
* NCI:
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=24343 24343]
 +
* HMDB : HMDB01882
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C05108 C05108]
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** [http://www.genome.jp/dbget-bin/www_bget?C00184 C00184]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.650.html 650]
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=18364 18364]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16016 16016]
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* METABOLIGHTS : MTBLC18364
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* METABOLIGHTS : MTBLC16016
−
* PUBCHEM:
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{{#set: smiles=C(C(CO)=O)O}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=165609 165609]
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{{#set: common name=dihydroxyacetone}}
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* HMDB : HMDB01286
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{{#set: inchi key=InChIKey=RXKJFZQQPQGTFL-UHFFFAOYSA-N}}
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{{#set: smiles=CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)(C)C(O)CCC(C)1C=2CCC(C)34))))}}
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{{#set: molecular weight=90.079   }}
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{{#set: inchi key=InChIKey=CHGIKSSZNBCNDW-QGBOJXOESA-N}}
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{{#set: common name=glycerone|1,3-dihydroxyacetone|dihydroxy-acetone}}
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{{#set: common name=4,4-dimethylzymosterol}}
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{{#set: consumed by=GLYCERONE-KINASE-RXN|2.7.1.121-RXN}}
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{{#set: molecular weight=412.698   }}
+
−
{{#set: common name=4,4-dimethyl-8,24-cholestadienol|4,4-dimethyl-5α-cholesta-8,24-dien-3β-ol|14-demethyllanosterol|17-(1,5-dimethylhex-4-enyl)-4,4,10,13-tetramethyl-2,3,4,5,6,7, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthren-3-ol|4,4-dimethyl-5α-cholesta-8,24-dien-3-β-ol}}
+
−
{{#set: produced by=RXN66-306}}
+

Latest revision as of 20:03, 21 March 2018

Metabolite DIHYDROXYACETONE

  • smiles:
    • C(C(CO)=O)O
  • common name:
    • dihydroxyacetone
  • inchi key:
    • InChIKey=RXKJFZQQPQGTFL-UHFFFAOYSA-N
  • molecular weight:
    • 90.079
  • Synonym(s):
    • glycerone
    • 1,3-dihydroxyacetone
    • dihydroxy-acetone

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • CAS : 96-26-4
  • BIGG : dha
  • DRUGBANK : DB01775
  • NCI:
  • HMDB : HMDB01882
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC16016




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