Difference between revisions of "CHOCOLA A"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] == * smiles: ** C=C(C(=O)[O-])CC([O-])=O * inchi key: ** InChIKey=LVHBHZAN...")
(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...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ITACONATE ITACONATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CHOCOLA_A CHOCOLA_A] ==
 
* smiles:
 
* smiles:
** C=C(C(=O)[O-])CC([O-])=O
+
** CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O
* inchi key:
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** InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L
+
 
* common name:
 
* common name:
** itaconate
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** all-trans-retinyl palmitate
 +
* inchi key:
 +
** InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N
 
* molecular weight:
 
* molecular weight:
** 128.084    
+
** 524.869    
 
* Synonym(s):
 
* Synonym(s):
** propylenedicarboxylic acid
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** chocola A
** methylenebutanedioic acid
+
** aquasol A
** 2-propene-1,2-dicarboxylic acid
+
** vitamin A palmitate
** methylenesuccinic acid
+
** retinol-palmitate
** itaconic acid
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** 2-methylsuccinate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-8988]]
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* [[3.1.1.64-RXN]]
 +
* [[RETINYL-PALMITATE-ESTERASE-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-12547]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 97-65-4
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* CAS : 79-81-2
 +
* LIPID_MAPS : LMPR01090013
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5459996 5459996]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280531 5280531]
* HMDB : HMDB02092
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* HMDB : HMDB03648
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00490 C00490]
+
** [http://www.genome.jp/dbget-bin/www_bget?C02588 C02588]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
** [http://www.chemspider.com/Chemical-Structure.4573697.html 4573697]
+
** [http://www.chemspider.com/Chemical-Structure.4444162.html 4444162]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17240 17240]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17616 17616]
* METABOLIGHTS : MTBLC17240
+
{{#set: smiles=CCCCCCCCCCCCCCCC(OCC=C(C=CC=C(C=CC1(C(CCCC=1C)(C)C))C)C)=O}}
{{#set: smiles=C=C(C(=O)[O-])CC([O-])=O}}
+
{{#set: common name=all-trans-retinyl palmitate}}
{{#set: inchi key=InChIKey=LVHBHZANLOWSRM-UHFFFAOYSA-L}}
+
{{#set: inchi key=InChIKey=VYGQUTWHTHXGQB-FFHKNEKCSA-N}}
{{#set: common name=itaconate}}
+
{{#set: molecular weight=524.869   }}
{{#set: molecular weight=128.084   }}
+
{{#set: common name=chocola A|aquasol A|vitamin A palmitate|retinol-palmitate}}
{{#set: common name=propylenedicarboxylic acid|methylenebutanedioic acid|2-propene-1,2-dicarboxylic acid|methylenesuccinic acid|itaconic acid|2-methylsuccinate}}
+
{{#set: consumed by=3.1.1.64-RXN|RETINYL-PALMITATE-ESTERASE-RXN}}
{{#set: consumed by=RXN-8988}}
+
{{#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: