Difference between revisions of "CPD-10244"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=RETINAL RETINAL] == * smiles: ** CC(C=CC1(C(C)(C)CCCC(C)=1))=CC=CC(C)=C[CH]=O * common name: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10244 CPD-10244] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-] * common name: ** doc...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=RETINAL RETINAL] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10244 CPD-10244] ==
 
* smiles:
 
* smiles:
** CC(C=CC1(C(C)(C)CCCC(C)=1))=CC=CC(C)=C[CH]=O
+
** CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]
 
* common name:
 
* common name:
** all-trans-retinal
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** docosahexaenoate
 
* inchi key:
 
* inchi key:
** InChIKey=NCYCYZXNIZJOKI-OVSJKPMPSA-N
+
** InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M
 
* molecular weight:
 
* molecular weight:
** 284.441    
+
** 327.486    
 
* Synonym(s):
 
* Synonym(s):
** vitamin A aldehyde
+
** docosahexaenoic acid
** retinene
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** DHA
** axerophthal
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** all-cis-docosa-4,7,10,13,16,19-hexaenoate
** retinaldehyde
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** (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
** retinal
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** (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
** all-trans-Vitamin A aldehyde
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** all-trans-retinene
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-13374]]
+
* [[RXN-16138]]
 +
* [[RXN-16017]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RETINOL-DEHYDROGENASE-RXN]]
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* [[RXN-16063]]
 
== External links  ==
 
== External links  ==
* CAS : 116-31-4
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* LIPID_MAPS : LMFA01030185
* LIPID_MAPS : LMPR01090002
+
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=638015 638015]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=40486925 40486925]
* HMDB : HMDB01358
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* DRUGBANK : DB03756
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00376 C00376]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.553582.html 553582]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17898 17898]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=77016 77016]
* METABOLIGHTS : MTBLC17898
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* HMDB : HMDB02183
{{#set: smiles=CC(C=CC1(C(C)(C)CCCC(C)=1))=CC=CC(C)=C[CH]=O}}
+
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]}}
{{#set: common name=all-trans-retinal}}
+
{{#set: common name=docosahexaenoate}}
{{#set: inchi key=InChIKey=NCYCYZXNIZJOKI-OVSJKPMPSA-N}}
+
{{#set: inchi key=InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M}}
{{#set: molecular weight=284.441   }}
+
{{#set: molecular weight=327.486   }}
{{#set: common name=vitamin A aldehyde|retinene|axerophthal|retinaldehyde|retinal|all-trans-Vitamin A aldehyde|all-trans-retinene}}
+
{{#set: common name=docosahexaenoic acid|DHA|all-cis-docosa-4,7,10,13,16,19-hexaenoate|(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate}}
{{#set: produced by=RXN-13374}}
+
{{#set: produced by=RXN-16138|RXN-16017}}
{{#set: reversible reaction associated=RETINOL-DEHYDROGENASE-RXN}}
+
{{#set: reversible reaction associated=RXN-16063}}

Latest revision as of 21:17, 21 March 2018

Metabolite CPD-10244

  • smiles:
    • CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-]
  • common name:
    • docosahexaenoate
  • inchi key:
    • InChIKey=MBMBGCFOFBJSGT-KUBAVDMBSA-M
  • molecular weight:
    • 327.486
  • Synonym(s):
    • docosahexaenoic acid
    • DHA
    • all-cis-docosa-4,7,10,13,16,19-hexaenoate
    • (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate
    • (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • LIPID_MAPS : LMFA01030185
  • PUBCHEM:
  • DRUGBANK : DB03756
  • CHEBI:
  • HMDB : HMDB02183
"CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)[O-" cannot be used as a page name in this wiki.