Difference between revisions of "CPD-676"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-MALONYL-COA METHYL-MALONYL-COA] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] == * smiles: ** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1) * common name: ** trans-caff...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=METHYL-MALONYL-COA METHYL-MALONYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-676 CPD-676] ==
 
* smiles:
 
* smiles:
−
** CC(C(=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-])=O
+
** C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
−
* inchi key:
+
−
** InChIKey=MZFOKIKEPGUZEN-AGCMQPJKSA-I
+
 
* common name:
 
* common name:
−
** (R)-methylmalonyl-CoA
+
** trans-caffeate
 +
* inchi key:
 +
** InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
 
* molecular weight:
 
* molecular weight:
−
** 862.568    
+
** 179.152    
 
* Synonym(s):
 
* Synonym(s):
−
** L-methylmalonyl-CoA
+
** trans-caffeic acid
−
** methylmalonyl-CoA
+
** 3,4-dihydroxy-trans-cinnamate
−
** methyl-malonyl-coenzyme A
+
** (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
−
** CH3-malonyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-1126]]
 +
* [[RXN-1104]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[METHYLMALONYL-COA-MUT-RXN]]
 
 
== External links  ==
 
== External links  ==
 +
* PUBCHEM:
 +
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691412 54691412]
 +
* HMDB : HMDB03501
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C01213 C01213]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01197 C01197]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.4450294.html 4450294]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57326 57326]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57770 57770]
−
* METABOLIGHTS : MTBLC57326
+
* METABOLIGHTS : MTBLC57770
−
* PUBCHEM:
+
{{#set: smiles=C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)}}
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266560 45266560]
+
{{#set: common name=trans-caffeate}}
−
* BIGG : mmcoa__R
+
{{#set: inchi key=InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M}}
−
{{#set: smiles=CC(C(=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-])=O}}
+
{{#set: molecular weight=179.152   }}
−
{{#set: inchi key=InChIKey=MZFOKIKEPGUZEN-AGCMQPJKSA-I}}
+
{{#set: common name=trans-caffeic acid|3,4-dihydroxy-trans-cinnamate|(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid}}
−
{{#set: common name=(R)-methylmalonyl-CoA}}
+
{{#set: consumed by=RXN-1126|RXN-1104}}
−
{{#set: molecular weight=862.568   }}
+
−
{{#set: common name=L-methylmalonyl-CoA|methylmalonyl-CoA|methyl-malonyl-coenzyme A|CH3-malonyl-CoA}}
+
−
{{#set: consumed or produced by=METHYLMALONYL-COA-MUT-RXN}}
+

Latest revision as of 21:21, 21 March 2018

Metabolite CPD-676

  • smiles:
    • C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)
  • common name:
    • trans-caffeate
  • inchi key:
    • InChIKey=QAIPRVGONGVQAS-DUXPYHPUSA-M
  • molecular weight:
    • 179.152
  • Synonym(s):
    • trans-caffeic acid
    • 3,4-dihydroxy-trans-cinnamate
    • (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C([O-])(=O)C=CC1(C=C(O)C(O)=CC=1)" cannot be used as a page name in this wiki.



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