Difference between revisions of "CPD-14422"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8985 CPD-8985] == * smiles: ** C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O) * common name: ** (+)-(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14422 CPD-14422] == * smiles: ** CCC=CCC=CCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-8985 CPD-8985] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14422 CPD-14422] ==
 
* smiles:
 
* smiles:
** C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O)
+
** CCC=CCC=CCC=CCCCCCCCC(=O)CC(=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:
 
* common name:
** (+)-(1R,2R)-1,2-diphenylethane-1,2-diol
+
** 3-oxo-icosatrienoyl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=IHPDTPWNFBQHEB-ZIAGYGMSSA-N
+
** InChIKey=DFYFQQXXTCLFNG-UBQHHBPXSA-J
 
* molecular weight:
 
* molecular weight:
** 214.263    
+
** 1065.958    
 
* Synonym(s):
 
* Synonym(s):
 +
** (9Z,12Z,15Z)-octadecatrienoyl-CoA
 +
** 3-oxo-eicosatrienoyl-CoA
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12994]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13441]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[3.3.2.9-RXN]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=853019 853019]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=71581047 71581047]
* CHEMSPIDER:
+
** [http://www.chemspider.com/Chemical-Structure.745456.html 745456]
+
* HMDB : HMDB12111
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50014 50014]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=74054 74054]
* LIGAND-CPD:
+
{{#set: smiles=CCC=CCC=CCC=CCCCCCCCC(=O)CC(=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.genome.jp/dbget-bin/www_bget?C16015 C16015]
+
{{#set: common name=3-oxo-icosatrienoyl-CoA}}
{{#set: smiles=C1(C=CC(=CC=1)C(C(C2(C=CC=CC=2))O)O)}}
+
{{#set: inchi key=InChIKey=DFYFQQXXTCLFNG-UBQHHBPXSA-J}}
{{#set: common name=(+)-(1R,2R)-1,2-diphenylethane-1,2-diol}}
+
{{#set: molecular weight=1065.958   }}
{{#set: inchi key=InChIKey=IHPDTPWNFBQHEB-ZIAGYGMSSA-N}}
+
{{#set: common name=(9Z,12Z,15Z)-octadecatrienoyl-CoA|3-oxo-eicosatrienoyl-CoA}}
{{#set: molecular weight=214.263   }}
+
{{#set: consumed by=RXN-12994}}
{{#set: reversible reaction associated=3.3.2.9-RXN}}
+
{{#set: produced by=RXN-13441}}

Latest revision as of 21:21, 21 March 2018

Metabolite CPD-14422

  • smiles:
    • CCC=CCC=CCC=CCCCCCCCC(=O)CC(=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:
    • 3-oxo-icosatrienoyl-CoA
  • inchi key:
    • InChIKey=DFYFQQXXTCLFNG-UBQHHBPXSA-J
  • molecular weight:
    • 1065.958
  • Synonym(s):
    • (9Z,12Z,15Z)-octadecatrienoyl-CoA
    • 3-oxo-eicosatrienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC=CCC=CCCCCCCCC(=O)CC(=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.