Difference between revisions of "3-PHENYLPROPIONATE"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=13-HYDROXY-MAGNESIUM-PROTOPORP 13-HYDROXY-MAGNESIUM-PROTOPORP] == * smiles: ** C=CC2(C(C)=C4(C=...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-PHENYLPROPIONATE 3-PHENYLPROPIONATE] == * smiles: ** C(CCC1(=CC=CC=C1))([O-])=O * common name...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=13-HYDROXY-MAGNESIUM-PROTOPORP 13-HYDROXY-MAGNESIUM-PROTOPORP] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-PHENYLPROPIONATE 3-PHENYLPROPIONATE] ==
 
* smiles:
 
* smiles:
−
** C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(C(O)CC(=O)OC)C(N56)=C7))))8))))
+
** C(CCC1(=CC=CC=C1))([O-])=O
 
* common name:
 
* common name:
−
** 131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester
+
** 3-phenylpropanoate
 +
* inchi key:
 +
** InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M
 
* molecular weight:
 
* molecular weight:
−
** 613.974    
+
** 149.169    
 
* Synonym(s):
 
* Synonym(s):
−
** 131-hydroxy-Mg-protoporphyrin IX 13-monomethyl ester
+
** hydrocinnamate
 +
** 3-phenylpropionic acid
 +
** hydrocinnamic acid
 +
** HCA
 +
** phenylpropanoate
 +
** 3-phenylpropionate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-5283]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-5282]]
+
* [[RXN-18229]]
 
== 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=90658233 90658233]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=4740700 4740700]
−
* CHEBI:
+
* HMDB : HMDB00764
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60489 60489]
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C11829 C11829]
+
** [http://www.genome.jp/dbget-bin/www_bget?C05629 C05629]
−
* HMDB : HMDB02379
+
* CHEMSPIDER:
−
{{#set: smiles=C=CC2(C(C)=C4(C=C8(C(C)=C(CCC(=O)[O-])C7(=N([Mg]35(N1(=C(C(C=C)=C(C)C1=CC=2N34)C=C6(C(C)=C(C(O)CC(=O)OC)C(N56)=C7))))8))))}}
+
** [http://www.chemspider.com/Chemical-Structure.3927902.html 3927902]
−
{{#set: common name=131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester}}
+
* CHEBI:
−
{{#set: molecular weight=613.974   }}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=51057 51057]
−
{{#set: common name=131-hydroxy-Mg-protoporphyrin IX 13-monomethyl ester}}
+
* BIGG : pppn
−
{{#set: consumed by=RXN-5283}}
+
{{#set: smiles=C(CCC1(=CC=CC=C1))([O-])=O}}
−
{{#set: produced by=RXN-5282}}
+
{{#set: common name=3-phenylpropanoate}}
 +
{{#set: inchi key=InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M}}
 +
{{#set: molecular weight=149.169   }}
 +
{{#set: common name=hydrocinnamate|3-phenylpropionic acid|hydrocinnamic acid|HCA|phenylpropanoate|3-phenylpropionate}}
 +
{{#set: produced by=RXN-18229}}

Latest revision as of 19:44, 21 March 2018

Metabolite 3-PHENYLPROPIONATE

  • smiles:
    • C(CCC1(=CC=CC=C1))([O-])=O
  • common name:
    • 3-phenylpropanoate
  • inchi key:
    • InChIKey=XMIIGOLPHOKFCH-UHFFFAOYSA-M
  • molecular weight:
    • 149.169
  • Synonym(s):
    • hydrocinnamate
    • 3-phenylpropionic acid
    • hydrocinnamic acid
    • HCA
    • phenylpropanoate
    • 3-phenylpropionate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(CCC1(=CC=CC=C1))([O-])=O" cannot be used as a page name in this wiki.



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