Difference between revisions of "RXN-13616"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9413 RXN-9413] == * direction: ** LEFT-TO-RIGHT * common name: ** limonene-12-epoxide_hydrolase...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2117 CPD0-2117] == * smiles: ** CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-9413 RXN-9413] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2117 CPD0-2117] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** CCCCCCCCCCCCCC=CC(=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
 
* common name:
 
* common name:
** limonene-12-epoxide_hydrolase_protein
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** trans-hexadec-2-enoyl-CoA
* ec number:
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* inchi key:
** [http://enzyme.expasy.org/EC/3.3.2.8 EC-3.3.2.8]
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** InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J
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* molecular weight:
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** 999.899   
 
* Synonym(s):
 
* Synonym(s):
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** trans-2-hexadecenoyl-CoA
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** (2E)-hexadecenoyl-CoA
  
== 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 [[4S-limonene-1-2-epoxides]][c] '''+''' 1 [[WATER]][c] '''=>''' 1 [[CPD-10055]][c]
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* [[RXN-16540]]
* With common name(s):
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* [[ACOA160or]]
** 1 a (4S)-1,2-epoxymenth-8-ene[c] '''+''' 1 H2O[c] '''=>''' 1 (1R,2R,4S)-limonene-1,2-diol[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_15422]]
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** IN-SILICO_ANNOTATION
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***AUTOMATED-NAME-MATCH
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== Pathways  ==
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* [[PWY-5924]], limonene degradation II (L-limonene): [http://metacyc.org/META/NEW-IMAGE?object=PWY-5924 PWY-5924]
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** '''1''' reactions found over '''7''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-in-silico_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* BIGG : hdd2coa
{{#set: common name=limonene-12-epoxide_hydrolase_protein}}
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* PUBCHEM:
{{#set: ec number=EC-3.3.2.8}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173176 46173176]
{{#set: gene associated=Tiso_gene_15422}}
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* HMDB : HMDB03945
{{#set: in pathway=PWY-5924}}
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* LIGAND-CPD:
{{#set: reconstruction category=annotation}}
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** [http://www.genome.jp/dbget-bin/www_bget?C05272 C05272]
{{#set: reconstruction source=annotation-in-silico_annotation}}
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* CHEBI:
{{#set: reconstruction tool=pathwaytools}}
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61526 61526]
 +
* METABOLIGHTS : MTBLC61526
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{{#set: smiles=CCCCCCCCCCCCCC=CC(=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}}
 +
{{#set: common name=trans-hexadec-2-enoyl-CoA}}
 +
{{#set: inchi key=InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J}}
 +
{{#set: molecular weight=999.899    }}
 +
{{#set: common name=trans-2-hexadecenoyl-CoA|(2E)-hexadecenoyl-CoA}}
 +
{{#set: produced by=RXN-16540|ACOA160or}}

Revision as of 15:38, 21 March 2018

Metabolite CPD0-2117

  • smiles:
    • CCCCCCCCCCCCCC=CC(=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
  • common name:
    • trans-hexadec-2-enoyl-CoA
  • inchi key:
    • InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J
  • molecular weight:
    • 999.899
  • Synonym(s):
    • trans-2-hexadecenoyl-CoA
    • (2E)-hexadecenoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • BIGG : hdd2coa
  • PUBCHEM:
  • HMDB : HMDB03945
  • LIGAND-CPD:
  • CHEBI:
  • METABOLIGHTS : MTBLC61526
"CCCCCCCCCCCCCC=CC(=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" cannot be used as a page name in this wiki.