Difference between revisions of "CPD-12932"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STEAROYL-COA STEAROYL-COA] == * smiles: ** CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12932 CPD-12932] == * smiles: ** CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C...")
 
(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=STEAROYL-COA STEAROYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12932 CPD-12932] ==
 
* smiles:
 
* smiles:
−
** CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
+
** CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
 
* inchi key:
 
* inchi key:
−
** InChIKey=SIARJEKBADXQJG-LFZQUHGESA-J
+
** InChIKey=OCMSUPSDVXKDFY-FQMRBFJQSA-N
 
* common name:
 
* common name:
−
** stearoyl-CoA
+
** all-trans-3,4-didehydrolycopene
 
* molecular weight:
 
* molecular weight:
−
** 1029.968    
+
** 534.867    
 
* Synonym(s):
 
* Synonym(s):
−
** Stearoyl-CoA (n-C18:0CoA)
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** 3,4-dehydrolycopene
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** stearyl-CoA
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** 3,4-didehydrolycopene
−
** stearyl coenzyme A
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[1.14.19.1-RXN]]
+
* [[RXN-11999]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-9546]]
 
−
* [[RXN-16380]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 362-66-3
 
−
* BIGG : 1451385
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266614 45266614]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16061227 16061227]
−
* HMDB : HMDB01114
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.17220904.html 17220904]
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** [http://www.genome.jp/dbget-bin/www_bget?C00412 C00412]
+
 
* CHEBI:
 
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57394 57394]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62474 62474]
−
* METABOLIGHTS : MTBLC57394
+
* LIGAND-CPD:
−
{{#set: smiles=CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C15867 C15867]
−
{{#set: inchi key=InChIKey=SIARJEKBADXQJG-LFZQUHGESA-J}}
+
{{#set: smiles=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C}}
−
{{#set: common name=stearoyl-CoA}}
+
{{#set: inchi key=InChIKey=OCMSUPSDVXKDFY-FQMRBFJQSA-N}}
−
{{#set: molecular weight=1029.968   }}
+
{{#set: common name=all-trans-3,4-didehydrolycopene}}
−
{{#set: common name=Stearoyl-CoA (n-C18:0CoA)|stearyl-CoA|stearyl coenzyme A}}
+
{{#set: molecular weight=534.867   }}
−
{{#set: consumed by=1.14.19.1-RXN}}
+
{{#set: common name=3,4-dehydrolycopene|3,4-didehydrolycopene}}
−
{{#set: produced by=RXN-9546|RXN-16380}}
+
{{#set: consumed by=RXN-11999}}

Latest revision as of 19:52, 21 March 2018

Metabolite CPD-12932

  • smiles:
    • CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
  • inchi key:
    • InChIKey=OCMSUPSDVXKDFY-FQMRBFJQSA-N
  • common name:
    • all-trans-3,4-didehydrolycopene
  • molecular weight:
    • 534.867
  • Synonym(s):
    • 3,4-dehydrolycopene
    • 3,4-didehydrolycopene

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=CPD-12932&oldid=29911"