Difference between revisions of "CPD-12905"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44. BUTANAL-DEHYDROGENASE-RXN...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] == * smiles: ** CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44. BUTANAL-DEHYDROGENASE-RXN-BUTANAL/CO-A/NADP//BUTYRYL-COA/NADPH/PROTON.44.] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12905 CPD-12905] ==
* direction:
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* smiles:
** REVERSIBLE
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** CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
 +
* inchi key:
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** InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
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* common name:
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** 3-hydroxy-5-methylhex-4-enoyl-CoA
 +
* molecular weight:
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** 889.657   
 
* Synonym(s):
 
* Synonym(s):
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 1.0 [[NADP]][c] '''+''' 1.0 [[BUTANAL]][c] '''+''' 1.0 [[CO-A]][c] '''<=>''' 1.0 [[BUTYRYL-COA]][c] '''+''' 1.0 [[NADPH]][c] '''+''' 1.0 [[PROTON]][c]
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* [[RXN-11919]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1.0 NADP+[c] '''+''' 1.0 butan-1-al[c] '''+''' 1.0 coenzyme A[c] '''<=>''' 1.0 butanoyl-CoA[c] '''+''' 1.0 NADPH[c] '''+''' 1.0 H+[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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== Reconstruction information  ==
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* [[gap-filling]]:
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** [[meneco]]:
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*** [[added for gapfilling]]
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== External links  ==
 
== External links  ==
{{#set: direction=REVERSIBLE}}
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* PUBCHEM:
{{#set: in pathway=}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986102 50986102]
{{#set: reconstruction category=gap-filling}}
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* LIGAND-CPD:
{{#set: reconstruction tool=meneco}}
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** [http://www.genome.jp/dbget-bin/www_bget?C16469 C16469]
{{#set: reconstruction source=added for gapfilling}}
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* HMDB : HMDB60373
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{{#set: smiles=CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
 +
{{#set: inchi key=InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J}}
 +
{{#set: common name=3-hydroxy-5-methylhex-4-enoyl-CoA}}
 +
{{#set: molecular weight=889.657    }}
 +
{{#set: produced by=RXN-11919}}

Revision as of 17:08, 23 May 2018

Metabolite CPD-12905

  • smiles:
    • CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • inchi key:
    • InChIKey=OLZYNLSKRKFUJC-FPVIQYCMSA-J
  • common name:
    • 3-hydroxy-5-methylhex-4-enoyl-CoA
  • molecular weight:
    • 889.657
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC(C)=CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.