Difference between revisions of "CHOCOLA A"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTENONE-5-ALPHA-REDUCTASE-RXN CHOLESTENONE-5-ALPHA-REDUCTASE-RXN] == * direction: ** REVERSIBL...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOCOLA_A CHOCOLA_A] == * smiles: ** CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O...")
 
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=CHOLESTENONE-5-ALPHA-REDUCTASE-RXN CHOLESTENONE-5-ALPHA-REDUCTASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOCOLA_A CHOCOLA_A] ==
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* direction:
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* smiles:
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** REVERSIBLE
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** CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O
 
* common name:
 
* common name:
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** 3-oxo-5-alpha-steroid_4-dehydrogenase
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** all-trans-retinyl palmitate
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.3.1.22 EC-1.3.1.22]
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** InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N
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* molecular weight:
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** 524.869   
 
* Synonym(s):
 
* Synonym(s):
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** 3-oxosteroid Δ4-dehydrogenase
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** chocola A
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** Δ4-3-ketosteroid 5α-oxidoreductase
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** aquasol A
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** vitamin A palmitate
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** retinol-palmitate
  
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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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* [[3.1.1.64-RXN]]
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** 1 [[CPD-1081]][c] '''+''' 1 [[NADP]][c] '''<=>''' 1 [[CPD-323]][c] '''+''' 1 [[NADPH]][c] '''+''' 1 [[PROTON]][c]
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* [[RETINYL-PALMITATE-ESTERASE-RXN]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 5&alpha;-cholestan-3-one[c] '''+''' 1 NADP+[c] '''<=>''' 1 cholest-4-en-3-one[c] '''+''' 1 NADPH[c] '''+''' 1 H+[c]
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* [[RXN-12547]]
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== Reaction(s) of unknown directionality ==
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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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* Gene: [[Tiso_gene_14327]]
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** Source: [[annotation-in-silico_annotation]]
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*** Assignment: AUTOMATED-NAME-MATCH
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== Pathways  ==
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
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* RHEA:
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* CAS : 79-81-2
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** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=24552 24552]
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* LIPID_MAPS : LMPR01090013
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* LIGAND-RXN:
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* PUBCHEM:
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** [http://www.genome.jp/dbget-bin/www_bget?R02610 R02610]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280531 5280531]
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* UNIPROT:
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* HMDB : HMDB03648
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** [http://www.uniprot.org/uniprot/P31214 P31214]
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* LIGAND-CPD:
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** [http://www.uniprot.org/uniprot/P31213 P31213]
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** [http://www.genome.jp/dbget-bin/www_bget?C02588 C02588]
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{{#set: direction=REVERSIBLE}}
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* CHEMSPIDER:
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{{#set: common name=3-oxo-5-alpha-steroid_4-dehydrogenase}}
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** [http://www.chemspider.com/Chemical-Structure.4444162.html 4444162]
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{{#set: ec number=EC-1.3.1.22}}
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* CHEBI:
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{{#set: common name=3-oxosteroid &Delta;4-dehydrogenase|&Delta;4-3-ketosteroid 5&alpha;-oxidoreductase}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17616 17616]
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{{#set: gene associated=Tiso_gene_14327}}
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{{#set: smiles=CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O}}
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{{#set: in pathway=}}
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{{#set: common name=all-trans-retinyl palmitate}}
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{{#set: reconstruction category=annotation}}
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{{#set: inchi key=InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N}}
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{{#set: reconstruction source=annotation-in-silico_annotation}}
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{{#set: molecular weight=524.869    }}
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{{#set: reconstruction tool=pathwaytools}}
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{{#set: common name=chocola A|aquasol A|vitamin A palmitate|retinol-palmitate}}
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{{#set: consumed by=3.1.1.64-RXN|RETINYL-PALMITATE-ESTERASE-RXN}}
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{{#set: produced by=RXN-12547}}

Latest revision as of 20:52, 21 March 2018

Metabolite CHOCOLA_A

  • smiles:
    • CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O
  • common name:
    • all-trans-retinyl palmitate
  • inchi key:
    • InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N
  • molecular weight:
    • 524.869
  • Synonym(s):
    • chocola A
    • aquasol A
    • vitamin A palmitate
    • retinol-palmitate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • CAS : 79-81-2
  • LIPID_MAPS : LMPR01090013
  • PUBCHEM:
  • HMDB : HMDB03648
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:




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