Difference between revisions of "TDP"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] == * smiles: ** CC(C)(C(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12936 CPD-12936] == * smiles: ** CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12936 CPD-12936] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I
+
** InChIKey=QPKNTQUMMSIKLQ-YMWARTTESA-N
 
* common name:
 
* common name:
−
** 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA
+
** apo-4'-lycopenal
 
* molecular weight:
 
* molecular weight:
−
** 968.692    
+
** 482.748    
 
* Synonym(s):
 
* Synonym(s):
−
** (hydroxymethylphenyl)succinyl-CoA
 
−
** 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-905]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-902]]
+
* [[RXN-11999]]
 
== 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=90658758 90658758]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986183 50986183]
−
* CHEBI:
+
{{#set: smiles=CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28202 28202]
+
{{#set: inchi key=InChIKey=QPKNTQUMMSIKLQ-YMWARTTESA-N}}
−
* LIGAND-CPD:
+
{{#set: common name=apo-4'-lycopenal}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C09819 C09819]
+
{{#set: molecular weight=482.748   }}
−
* HMDB : HMDB12145
+
{{#set: produced by=RXN-11999}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
−
{{#set: inchi key=InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I}}
+
−
{{#set: common name=2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA}}
+
−
{{#set: molecular weight=968.692   }}
+
−
{{#set: common name=(hydroxymethylphenyl)succinyl-CoA|2-carboxymethyl-3-hydroxyphenylpropionyl-CoA}}
+
−
{{#set: consumed by=RXN-905}}
+
−
{{#set: produced by=RXN-902}}
+

Revision as of 22:54, 17 March 2018

Metabolite CPD-12936

  • smiles:
    • CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=O
  • inchi key:
    • InChIKey=QPKNTQUMMSIKLQ-YMWARTTESA-N
  • common name:
    • apo-4'-lycopenal
  • molecular weight:
    • 482.748
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



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