Difference between revisions of "CPD-3946"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-2962 RXN-2962] == * direction: ** LEFT-TO-RIGHT * ec number: ** [http://enzyme.expasy.org/EC/1....")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3946 CPD-3946] == * smiles: ** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-2962 RXN-2962] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-3946 CPD-3946] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
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* ec number:
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* common name:
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** [http://enzyme.expasy.org/EC/1.1.1.284 EC-1.1.1.284]
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** (22S,24R)-22-hydroxy-5α-ergostan-3-one
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* inchi key:
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** InChIKey=XGIZPVUTLMXXTK-VNSZYHACSA-N
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* molecular weight:
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** 416.686   
 
* Synonym(s):
 
* Synonym(s):
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** (22S)-22-hydroxy-5α-campestan-3-one
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** (22α)-hydroxy-5α-campestan-3-one
  
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== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
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* With identifiers:
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== Reaction(s) known to produce the compound ==
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** 1 [[S-HYDROXYMETHYLGLUTATHIONE]][c] '''+''' 1 [[NAD-P-OR-NOP]][c] '''=>''' 1 [[NADH-P-OR-NOP]][c] '''+''' 1 [[PROTON]][c] '''+''' 1 [[CPD-548]][c]
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* [[RXN-4230]]
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* With common name(s):
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== Reaction(s) of unknown directionality ==
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** 1 S-(hydroxymethyl)glutathione[c] '''+''' 1 NAD(P)+[c] '''=>''' 1 NAD(P)H[c] '''+''' 1 H+[c] '''+''' 1 S-formylglutathione[c]
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== Genes associated with this reaction  ==
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Genes have been associated with this reaction based on different elements listed below.
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* [[Tiso_gene_18459]]
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** [[pantograph]]-[[esiliculosus]]
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== Pathways  ==
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* [[PWY-1801]], formaldehyde oxidation II (glutathione-dependent): [http://metacyc.org/META/NEW-IMAGE?object=PWY-1801 PWY-1801]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[esiliculosus]]
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== External links  ==
 
== External links  ==
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* LIGAND-RXN:
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* LIPID_MAPS : LMST01031117
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** [http://www.genome.jp/dbget-bin/www_bget?R06983 R06983]
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R07140 R07140]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878488 46878488]
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{{#set: direction=LEFT-TO-RIGHT}}
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* HMDB : HMDB12112
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{{#set: ec number=EC-1.1.1.284}}
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* CHEBI:
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{{#set: gene associated=Tiso_gene_18459}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=59411 59411]
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{{#set: in pathway=PWY-1801}}
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* LIGAND-CPD:
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{{#set: reconstruction category=orthology}}
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** [http://www.genome.jp/dbget-bin/www_bget?C15797 C15797]
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{{#set: reconstruction tool=pantograph}}
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{{#set: smiles=CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
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{{#set: reconstruction source=esiliculosus}}
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{{#set: common name=(22S,24R)-22-hydroxy-5α-ergostan-3-one}}
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{{#set: inchi key=InChIKey=XGIZPVUTLMXXTK-VNSZYHACSA-N}}
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{{#set: molecular weight=416.686    }}
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{{#set: common name=(22S)-22-hydroxy-5α-campestan-3-one|(22α)-hydroxy-5α-campestan-3-one}}
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{{#set: produced by=RXN-4230}}

Latest revision as of 20:35, 21 March 2018

Metabolite CPD-3946

  • smiles:
    • CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))
  • common name:
    • (22S,24R)-22-hydroxy-5α-ergostan-3-one
  • inchi key:
    • InChIKey=XGIZPVUTLMXXTK-VNSZYHACSA-N
  • molecular weight:
    • 416.686
  • Synonym(s):
    • (22S)-22-hydroxy-5α-campestan-3-one
    • (22α)-hydroxy-5α-campestan-3-one

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMST01031117
  • PUBCHEM:
  • HMDB : HMDB12112
  • CHEBI:
  • LIGAND-CPD:
"CC(C)C(C)CC(O)C(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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