Difference between revisions of "RXN-14388"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18 CPD-18] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11878 CPD-11878] == * smiles: ** C(O)C(O)C1(C=CC(O)=C(O)C=1) * common name: ** 3,4-dihydrox...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18 CPD-18] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11878 CPD-11878] ==
 
* smiles:
 
* smiles:
−
** CCCCCC=CCC=CCCCCCCCC(=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-]
+
** C(O)C(O)C1(C=CC(O)=C(O)C=1)
−
* inchi key:
+
−
** InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J
+
 
* common name:
 
* common name:
−
** linoleoyl-CoA
+
** 3,4-dihydroxyphenylglycol
 +
* inchi key:
 +
** InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1025.937    
+
** 170.165    
 
* Synonym(s):
 
* Synonym(s):
−
** cis,cis-octadeca-9,12-dienoyl-CoA
+
** dihydroxyphenylethylene glycol
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** (9Z,12Z)-octadeca-9,12-dienoyl-CoA
+
** 3,4-dihydroxyphenylethyleneglycol
−
** 18:2(n-6)
+
** DHPG
 +
** DOPEG
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[1.14.19.3-RXN]]
 
−
* [[RXN-16094]]
 
−
* [[LINOLEOYL-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[LNLCCOAL]]
+
* [[RXN-10911]]
−
* [[RXN-9673]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245440 25245440]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6951097 6951097]
−
* CHEBI:
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* HMDB : HMDB00318
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57383 57383]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C02050 C02050]
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** [http://www.genome.jp/dbget-bin/www_bget?C05576 C05576]
−
* HMDB : HMDB01064
+
* CHEMSPIDER:
−
{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(=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-]}}
+
** [http://www.chemspider.com/Chemical-Structure.82648.html 82648]
−
{{#set: inchi key=InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J}}
+
* CHEBI:
−
{{#set: common name=linoleoyl-CoA}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1387 1387]
−
{{#set: molecular weight=1025.937   }}
+
* METABOLIGHTS : MTBLC1387
−
{{#set: common name=cis,cis-octadeca-9,12-dienoyl-CoA|(9Z,12Z)-octadeca-9,12-dienoyl-CoA|18:2(n-6)}}
+
{{#set: smiles=C(O)C(O)C1(C=CC(O)=C(O)C=1)}}
−
{{#set: consumed by=1.14.19.3-RXN|RXN-16094|LINOLEOYL-RXN}}
+
{{#set: common name=3,4-dihydroxyphenylglycol}}
−
{{#set: produced by=LNLCCOAL|RXN-9673}}
+
{{#set: inchi key=InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N}}
 +
{{#set: molecular weight=170.165   }}
 +
{{#set: common name=dihydroxyphenylethylene glycol|3,4-dihydroxyphenylethyleneglycol|DHPG|DOPEG}}
 +
{{#set: produced by=RXN-10911}}

Revision as of 16:37, 21 March 2018

Metabolite CPD-11878

  • smiles:
    • C(O)C(O)C1(C=CC(O)=C(O)C=1)
  • common name:
    • 3,4-dihydroxyphenylglycol
  • inchi key:
    • InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N
  • molecular weight:
    • 170.165
  • Synonym(s):
    • dihydroxyphenylethylene glycol
    • 3,4-dihydroxyphenylethyleneglycol
    • DHPG
    • DOPEG

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

  • PUBCHEM:
  • HMDB : HMDB00318
  • LIGAND-CPD:
  • CHEMSPIDER:
  • CHEBI:
  • METABOLIGHTS : MTBLC1387




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