Difference between revisions of "RXN-14208"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=CYCLOHEXADIENYL-DEHYDROGENASE-RXN CYCLOHEXADIENYL-DEHYDROGENASE-RXN] == * direction: ** LEFT-TO-RIG...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CAFFEOYL-COA CAFFEOYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=CYCLOHEXADIENYL-DEHYDROGENASE-RXN CYCLOHEXADIENYL-DEHYDROGENASE-RXN] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CAFFEOYL-COA CAFFEOYL-COA] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/1.3.1.43 EC-1.3.1.43]
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** InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
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* common name:
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** trans-caffeoyl-CoA
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* molecular weight:
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** 925.647   
 
* Synonym(s):
 
* Synonym(s):
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** 3,4-dihydroxyacryloyl-CoA
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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* [[CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN]]
** 1 [[NAD]][c] '''+''' 1 [[CPD-659]][c] '''=>''' 1 [[TYR]][c] '''+''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[NADH]][c]
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== Reaction(s) known to produce the compound ==
* With common name(s):
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* [[RXN-1126]]
** 1 NAD+[c] '''+''' 1 L-arogenate[c] '''=>''' 1 L-tyrosine[c] '''+''' 1 CO2[c] '''+''' 1 NADH[c]
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== Reaction(s) of unknown directionality ==
 
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-6120]], L-tyrosine biosynthesis III: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6120 PWY-6120]
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** '''3''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[gap-filling]]
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** Source: [[gap-filling-gapfilling_solution_with_meneco_draft_medium]]
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*** Tool: [[meneco]]
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**** Comment: [[added for gapfilling]]
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== External links  ==
 
== External links  ==
* RHEA:
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* PUBCHEM:
** [http://www.ebi.ac.uk/rhea/reaction.xhtml?id=12256 12256]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266599 45266599]
* LIGAND-RXN:
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* CHEBI:
** [http://www.genome.jp/dbget-bin/www_bget?R00732 R00732]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57372 57372]
* UNIPROT:
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* LIGAND-CPD:
** [http://www.uniprot.org/uniprot/Q04983 Q04983]
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** [http://www.genome.jp/dbget-bin/www_bget?C00323 C00323]
{{#set: direction=LEFT-TO-RIGHT}}
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{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
{{#set: ec number=EC-1.3.1.43}}
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{{#set: inchi key=InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J}}
{{#set: in pathway=PWY-6120}}
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{{#set: common name=trans-caffeoyl-CoA}}
{{#set: reconstruction category=gap-filling}}
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{{#set: molecular weight=925.647    }}
{{#set: reconstruction source=gap-filling-gapfilling_solution_with_meneco_draft_medium}}
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{{#set: common name=3,4-dihydroxyacryloyl-CoA}}
{{#set: reconstruction tool=meneco}}
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{{#set: consumed by=CAFFEOYL-COA-O-METHYLTRANSFERASE-RXN}}
{{#set: reconstruction comment=added for gapfilling}}
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{{#set: produced by=RXN-1126}}

Revision as of 13:34, 21 March 2018

Metabolite CAFFEOYL-COA

  • smiles:
    • CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
  • inchi key:
    • InChIKey=QHRGJMIMHCLHRG-ZSELIEHESA-J
  • common name:
    • trans-caffeoyl-CoA
  • molecular weight:
    • 925.647
  • Synonym(s):
    • 3,4-dihydroxyacryloyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(=CC=C(O)C(=C1)O))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.