Difference between revisions of "CPD-11878"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18346 CPD-18346] == * smiles: ** CCCCCCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(...")
(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...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18346 CPD-18346] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11878 CPD-11878] ==
 
* smiles:
 
* smiles:
−
** CCCCCCC=CCCCCCCCCCC(=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
+
** C(O)C(O)C1(C=CC(O)=C(O)C=1)
 
* common name:
 
* common name:
−
** cis-vaccenoyl-CoA
+
** 3,4-dihydroxyphenylglycol
 
* inchi key:
 
* inchi key:
−
** InChIKey=HEJOXXLSCAQQGQ-SAIINBSPSA-J
+
** InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N
 
* molecular weight:
 
* molecular weight:
−
** 1027.953    
+
** 170.165    
 
* Synonym(s):
 
* Synonym(s):
−
** (Z)-octadec-11-enoyl CoA
+
** dihydroxyphenylethylene glycol
−
** (Z)-11-octadecenoic acyl-CoA
+
** 3,4-dihydroxyphenylethyleneglycol
−
** cis-11-octadecenoic acyl-CoA
+
** DHPG
−
** cis-octadec-11-enoic acyl-CoA
+
** DOPEG
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-17011]]
 
−
* [[RXN-17010]]
 
−
* [[RXN-17784]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN0-7238]]
+
* [[RXN-10911]]
−
* [[FACOAL18111Z]]
+
 
== 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=71668355 71668355]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6951097 6951097]
 +
* HMDB : HMDB00318
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C05576 C05576]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.82648.html 82648]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=75121 75121]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1387 1387]
−
{{#set: smiles=CCCCCCC=CCCCCCCCCCC(=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}}
+
* METABOLIGHTS : MTBLC1387
−
{{#set: common name=cis-vaccenoyl-CoA}}
+
{{#set: smiles=C(O)C(O)C1(C=CC(O)=C(O)C=1)}}
−
{{#set: inchi key=InChIKey=HEJOXXLSCAQQGQ-SAIINBSPSA-J}}
+
{{#set: common name=3,4-dihydroxyphenylglycol}}
−
{{#set: molecular weight=1027.953   }}
+
{{#set: inchi key=InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N}}
−
{{#set: common name=(Z)-octadec-11-enoyl CoA|(Z)-11-octadecenoic acyl-CoA|cis-11-octadecenoic acyl-CoA|cis-octadec-11-enoic acyl-CoA}}
+
{{#set: molecular weight=170.165   }}
−
{{#set: consumed by=RXN-17011|RXN-17010|RXN-17784}}
+
{{#set: common name=dihydroxyphenylethylene glycol|3,4-dihydroxyphenylethyleneglycol|DHPG|DOPEG}}
−
{{#set: produced by=RXN0-7238|FACOAL18111Z}}
+
{{#set: produced by=RXN-10911}}

Latest revision as of 20:55, 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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