Difference between revisions of "CPD-676"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13443 RXN-13443] == * direction: ** LEFT-TO-RIGHT * common name: ** chloroplast_beta-keto_acyl_...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == * smiles: ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) * common name: ** trans-caff...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Reaction]]
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[[Category:Metabolite]]
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== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-13443 RXN-13443] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] ==
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* direction:
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* smiles:
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** LEFT-TO-RIGHT
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** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
 
* common name:
 
* common name:
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** chloroplast_beta-keto_acyl_reductase
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** trans-caffeate
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* ec number:
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* inchi key:
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** [http://enzyme.expasy.org/EC/1.1.1.330 EC-1.1.1.330]
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** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
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* molecular weight:
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** 179.152   
 
* Synonym(s):
 
* Synonym(s):
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** trans-caffeic acid
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** 3,4-dihydroxy-trans-cinnamate
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** (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
  
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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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* [[RXN-1126]]
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** 1 [[PROTON]][c] '''+''' 1 [[CPD-14423]][c] '''+''' 1 [[NADH-P-OR-NOP]][c] '''=>''' 1 [[NAD-P-OR-NOP]][c] '''+''' 1 [[CPD-14424]][c]
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* [[RXN-1104]]
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* With common name(s):
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== Reaction(s) known to produce the compound ==
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** 1 H+[c] '''+''' 1 3-oxo-docosapentaenoyl-CoA[c] '''+''' 1 NAD(P)H[c] '''=>''' 1 NAD(P)+[c] '''+''' 1 (5Z,8Z,11Z,14Z,17Z)-3R-hydroxy-docosapentaenoyl-CoA[c]
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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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* [[Tiso_gene_9885]]
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** EXPERIMENTAL_ANNOTATION
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***AUTOMATED-NAME-MATCH
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* [[Tiso_gene_13083]]
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** EXPERIMENTAL_ANNOTATION
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***AUTOMATED-NAME-MATCH
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** [[pantograph]]-[[esiliculosus]]
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* [[Tiso_gene_9871]]
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** IN-SILICO_ANNOTATION
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***EC-NUMBER
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** EXPERIMENTAL_ANNOTATION
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***EC-NUMBER
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== Pathways  ==
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* [[PWY-7053]], docosahexaenoate biosynthesis I (lower eukaryotes): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7053 PWY-7053]
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** '''4''' reactions found over '''7''' reactions in the full pathway
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* [[PWY-7606]], docosahexaenoate biosynthesis III (6-desaturase, mammals): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7606 PWY-7606]
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** '''14''' reactions found over '''14''' reactions in the full pathway
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* [[PWY-7727]], docosahexaenoate biosynthesis IV (4-desaturase, mammals): [http://metacyc.org/META/NEW-IMAGE?object=PWY-7727 PWY-7727]
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** '''5''' reactions found over '''6''' reactions in the full pathway
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== Reconstruction information  ==
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* [[orthology]]:
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** [[pantograph]]:
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*** [[esiliculosus]]
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* [[annotation]]:
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** [[pathwaytools]]:
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*** [[experimental_annotation]]
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*** [[in-silico_annotation]]
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== External links  ==
 
== External links  ==
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{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
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{{#set: common name=chloroplast_beta-keto_acyl_reductase}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412]
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{{#set: ec number=EC-1.1.1.330}}
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* HMDB : HMDB03501
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{{#set: gene associated=Tiso_gene_9885|Tiso_gene_13083|Tiso_gene_9871}}
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* LIGAND-CPD:
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{{#set: in pathway=PWY-7053|PWY-7606|PWY-7727}}
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** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197]
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{{#set: reconstruction category=orthology}}
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* CHEMSPIDER:
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{{#set: reconstruction tool=pantograph}}
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** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294]
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{{#set: reconstruction source=esiliculosus}}
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* CHEBI:
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{{#set: reconstruction category=annotation}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770]
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{{#set: reconstruction tool=pathwaytools}}
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* METABOLIGHTS : MTBLC57770
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{{#set: reconstruction source=experimental_annotation|in-silico_annotation}}
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{{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}}
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{{#set: common name=trans-caffeate}}
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{{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}}
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{{#set: molecular weight=179.152    }}
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{{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}}
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{{#set: consumed by=RXN-1126|RXN-1104}}

Latest revision as of 20:21, 21 March 2018

Metabolite CPD-676

  • smiles:
    • C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
  • common name:
    • trans-caffeate
  • inchi key:
    • InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
  • molecular weight:
    • 179.152
  • Synonym(s):
    • trans-caffeic acid
    • 3,4-dihydroxy-trans-cinnamate
    • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)" cannot be used as a page name in this wiki.



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