Difference between revisions of "CPD-15688"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11270 RXN-11270] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15688 CPD-15688] == * smiles: ** CCCCCCC=CC=CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-11270 RXN-11270] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15688 CPD-15688] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CCCCCCC=CC=CCC(=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=ARQUZFJQPYWSSL-NBLUIMTHSA-J
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* common name:
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** 3-cis, 5-trans-dodecadienoyl-CoA
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* molecular weight:
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** 941.776   
 
* 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 [[CPD-12218]][c] '''=>''' 1 [[ACET]][c] '''+''' 1 [[BENZALDEHYDE]][c]
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* [[RXN-14799]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 3-hydroxy-3-phenylpropanoate[c] '''=>''' 1 acetate[c] '''+''' 1 benzaldehyde[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-6444]], benzoate biosynthesis II (CoA-independent, non-β-oxidative): [http://metacyc.org/META/NEW-IMAGE?object=PWY-6444 PWY-6444]
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** '''4''' reactions found over '''4''' reactions in the full pathway
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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=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: in pathway=PWY-6444}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657300 90657300]
{{#set: reconstruction category=gap-filling}}
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{{#set: smiles=CCCCCCC=CC=CCC(=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: reconstruction tool=meneco}}
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{{#set: inchi key=InChIKey=ARQUZFJQPYWSSL-NBLUIMTHSA-J}}
{{#set: reconstruction source=added for gapfilling}}
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{{#set: common name=3-cis, 5-trans-dodecadienoyl-CoA}}
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{{#set: molecular weight=941.776    }}
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{{#set: produced by=RXN-14799}}

Revision as of 16:20, 23 May 2018

Metabolite CPD-15688

  • smiles:
    • CCCCCCC=CC=CCC(=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=ARQUZFJQPYWSSL-NBLUIMTHSA-J
  • common name:
    • 3-cis, 5-trans-dodecadienoyl-CoA
  • molecular weight:
    • 941.776
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CC=CCC(=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.