Difference between revisions of "CPD-18"

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(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) * inchi key: ** InChIKey=MTVWF...")
(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(=...")
 
(2 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11878 CPD-11878] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18 CPD-18] ==
 
* smiles:
 
* smiles:
** C(O)C(O)C1(C=CC(O)=C(O)C=1)
+
** 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-]
* inchi key:
+
** InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N
+
 
* common name:
 
* common name:
** 3,4-dihydroxyphenylglycol
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** linoleoyl-CoA
 +
* inchi key:
 +
** InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J
 
* molecular weight:
 
* molecular weight:
** 170.165    
+
** 1025.937    
 
* Synonym(s):
 
* Synonym(s):
** dihydroxyphenylethylene glycol
+
** cis,cis-octadeca-9,12-dienoyl-CoA
** 3,4-dihydroxyphenylethyleneglycol
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** (9Z,12Z)-octadeca-9,12-dienoyl-CoA
** DHPG
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** 18:2(n-6)
** 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 ==
* [[RXN-10911]]
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* [[LNLCCOAL]]
 +
* [[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=6951097 6951097]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245440 25245440]
* HMDB : HMDB00318
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* HMDB : HMDB01064
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C05576 C05576]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.82648.html 82648]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=1387 1387]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57383 57383]
* METABOLIGHTS : MTBLC1387
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* LIGAND-CPD:
{{#set: smiles=C(O)C(O)C1(C=CC(O)=C(O)C=1)}}
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** [http://www.genome.jp/dbget-bin/www_bget?C02050 C02050]
{{#set: inchi key=InChIKey=MTVWFVDWRVYDOR-QMMMGPOBSA-N}}
+
{{#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-]}}
{{#set: common name=3,4-dihydroxyphenylglycol}}
+
{{#set: common name=linoleoyl-CoA}}
{{#set: molecular weight=170.165   }}
+
{{#set: inchi key=InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J}}
{{#set: common name=dihydroxyphenylethylene glycol|3,4-dihydroxyphenylethyleneglycol|DHPG|DOPEG}}
+
{{#set: molecular weight=1025.937   }}
{{#set: produced by=RXN-10911}}
+
{{#set: common name=cis,cis-octadeca-9,12-dienoyl-CoA|(9Z,12Z)-octadeca-9,12-dienoyl-CoA|18:2(n-6)}}
 +
{{#set: consumed by=1.14.19.3-RXN|RXN-16094|LINOLEOYL-RXN}}
 +
{{#set: produced by=LNLCCOAL|RXN-9673}}

Latest revision as of 19:56, 21 March 2018

Metabolite CPD-18

  • 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-]
  • common name:
    • linoleoyl-CoA
  • inchi key:
    • InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J
  • molecular weight:
    • 1025.937
  • Synonym(s):
    • cis,cis-octadeca-9,12-dienoyl-CoA
    • (9Z,12Z)-octadeca-9,12-dienoyl-CoA
    • 18:2(n-6)

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"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-" cannot be used as a page name in this wiki.