Difference between revisions of "CPD-476"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NOREPINEPHRINE NOREPINEPHRINE] == * smiles: ** C1(C=C(O)C(=CC=1C(C[N+])O)O) * inchi key: ** InC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-476 CPD-476] == * smiles: ** C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O * inchi key: ** InChIKe...")
 
(One intermediate revision by the same user not shown)
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=NOREPINEPHRINE NOREPINEPHRINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-476 CPD-476] ==
 
* smiles:
 
* smiles:
−
** C1(C=C(O)C(=CC=1C(C[N+])O)O)
+
** C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=SFLSHLFXELFNJZ-QMMMGPOBSA-O
+
** InChIKey=CAOVWYZQMPNAFJ-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** (R)-noradrenaline
+
** 4-(2-aminophenyl)-2,4-dioxobutanoate
 
* molecular weight:
 
* molecular weight:
−
** 170.188    
+
** 206.177    
 
* Synonym(s):
 
* Synonym(s):
−
** (R)-norepinephrine
 
−
** (-)-noradrenaline
 
−
** (-)-norepinephrine
 
−
** (-)-arterenol
 
−
** (R)-(-)-norepinephrine
 
−
** (R)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol
 
−
** (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethanaminium
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-10720]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[DOPAMINE-BETA-MONOOXYGENASE-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[2.6.1.7-RXN]]
 
== External links  ==
 
== External links  ==
−
* DRUGBANK : DB00368
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6921840 6921840]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615302 23615302]
−
* HMDB : HMDB00216
+
* HMDB : HMDB00978
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C00547 C00547]
+
** [http://www.genome.jp/dbget-bin/www_bget?C01252 C01252]
 
* CHEMSPIDER:
 
* CHEMSPIDER:
−
** [http://www.chemspider.com/Chemical-Structure.3037559.html 3037559]
+
** [http://www.chemspider.com/Chemical-Structure.19951260.html 19951260]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=72587 72587]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58147 58147]
−
{{#set: smiles=C1(C=C(O)C(=CC=1C(C[N+])O)O)}}
+
* METABOLIGHTS : MTBLC58147
−
{{#set: inchi key=InChIKey=SFLSHLFXELFNJZ-QMMMGPOBSA-O}}
+
{{#set: smiles=C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O}}
−
{{#set: common name=(R)-noradrenaline}}
+
{{#set: inchi key=InChIKey=CAOVWYZQMPNAFJ-UHFFFAOYSA-M}}
−
{{#set: molecular weight=170.188   }}
+
{{#set: common name=4-(2-aminophenyl)-2,4-dioxobutanoate}}
−
{{#set: common name=(R)-norepinephrine|(-)-noradrenaline|(-)-norepinephrine|(-)-arterenol|(R)-(-)-norepinephrine|(R)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol|(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethanaminium}}
+
{{#set: molecular weight=206.177   }}
−
{{#set: produced by=DOPAMINE-BETA-MONOOXYGENASE-RXN}}
+
{{#set: consumed by=RXN-10720}}
 +
{{#set: reversible reaction associated=2.6.1.7-RXN}}

Latest revision as of 20:11, 21 March 2018

Metabolite CPD-476

  • smiles:
    • C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O
  • inchi key:
    • InChIKey=CAOVWYZQMPNAFJ-UHFFFAOYSA-M
  • common name:
    • 4-(2-aminophenyl)-2,4-dioxobutanoate
  • molecular weight:
    • 206.177
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(C(CC(C1(C(=CC=CC=1)N))=O)=O)([O-])=O" cannot be used as a page name in this wiki.



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