Difference between revisions of "CHOCOLA A"

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(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...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O
 
** 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:
 
* molecular weight:
 
** 524.869     
 
** 524.869     
 +
* inchi key:
 +
** InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N
 +
* common name:
 +
** all-trans-retinyl palmitate
 
* Synonym(s):
 
* Synonym(s):
 
** chocola A
 
** chocola A
Line 16: Line 16:
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[3.1.1.64-RXN]]
 
 
* [[RETINYL-PALMITATE-ESTERASE-RXN]]
 
* [[RETINYL-PALMITATE-ESTERASE-RXN]]
 +
* [[3.1.1.64-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
* [[RXN-12547]]
 
* [[RXN-12547]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 79-81-2
 
* LIPID_MAPS : LMPR01090013
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280531 5280531]
 
* HMDB : HMDB03648
 
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C02588 C02588]
 
 
* CHEMSPIDER:
 
* CHEMSPIDER:
 
** [http://www.chemspider.com/Chemical-Structure.4444162.html 4444162]
 
** [http://www.chemspider.com/Chemical-Structure.4444162.html 4444162]
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280531 5280531]
 +
* LIPID_MAPS : LMPR01090013
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17616 17616]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17616 17616]
 +
* GO-TERMS : (REFMET "all-trans-retinyl palmitate" NIL midford 3697479617 NIL NIL)
 +
* CAS : 79-81-2
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C02588 C02588]
 +
* HMDB : HMDB03648
 
{{#set: smiles=CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O}}
 
{{#set: smiles=CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O}}
{{#set: common name=all-trans-retinyl palmitate}}
 
{{#set: inchi key=InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N}}
 
 
{{#set: molecular weight=524.869    }}
 
{{#set: molecular weight=524.869    }}
 +
{{#set: inchi key=InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N}}
 +
{{#set: common name=all-trans-retinyl palmitate}}
 
{{#set: common name=chocola A|aquasol A|vitamin A palmitate|retinol-palmitate}}
 
{{#set: common name=chocola A|aquasol A|vitamin A palmitate|retinol-palmitate}}
{{#set: consumed by=3.1.1.64-RXN|RETINYL-PALMITATE-ESTERASE-RXN}}
+
{{#set: consumed by=RETINYL-PALMITATE-ESTERASE-RXN|3.1.1.64-RXN}}
 
{{#set: produced by=RXN-12547}}
 
{{#set: produced by=RXN-12547}}

Latest revision as of 14:12, 10 January 2019

Metabolite CHOCOLA_A

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

  • CHEMSPIDER:
  • PUBCHEM:
  • LIPID_MAPS : LMPR01090013
  • CHEBI:
  • GO-TERMS : (REFMET "all-trans-retinyl palmitate" NIL midford 3697479617 NIL NIL)
  • CAS : 79-81-2
  • LIGAND-CPD:
  • HMDB : HMDB03648