Difference between revisions of "Tiso gene 8041"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=O-SINAPOYLCHOLINE O-SINAPOYLCHOLINE] == * smiles: ** C(COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC))[N+](...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14873 CPD-14873] == * smiles: ** C(=O)([O-])C1(C=C(N)C(O)=CC=1) * inchi key: ** InChIKey=MR...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=O-SINAPOYLCHOLINE O-SINAPOYLCHOLINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14873 CPD-14873] ==
 
* smiles:
 
* smiles:
** C(COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC))[N+](C)(C)C
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** C(=O)([O-])C1(C=C(N)C(O)=CC=1)
 
* inchi key:
 
* inchi key:
** InChIKey=HUJXHFRXWWGYQH-UHFFFAOYSA-O
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** InChIKey=MRBKRZAPGUCWOS-UHFFFAOYSA-M
 
* common name:
 
* common name:
** O-sinapoylcholine
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** 3-amino-4-hydroxybenzoate
 
* molecular weight:
 
* molecular weight:
** 310.369    
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** 152.129    
 
* Synonym(s):
 
* Synonym(s):
** sinapoylcholine
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** 3-amino-4-hydroxybenzoic acid
** sinapine
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** 3,4-AHBA
 +
** 5-amino saliciylic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[2.3.1.91-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-13870]]
 
== External links  ==
 
== External links  ==
* CAS : 18696-26-9
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280385 5280385]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54694272 54694272]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.58593.html 58593]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16353 16353]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=60005 60005]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C00933 C00933]
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** [http://www.genome.jp/dbget-bin/www_bget?C12115 C12115]
* HMDB : HMDB29379
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{{#set: smiles=C(=O)([O-])C1(C=C(N)C(O)=CC=1)}}
{{#set: smiles=C(COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC))[N+](C)(C)C}}
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{{#set: inchi key=InChIKey=MRBKRZAPGUCWOS-UHFFFAOYSA-M}}
{{#set: inchi key=InChIKey=HUJXHFRXWWGYQH-UHFFFAOYSA-O}}
+
{{#set: common name=3-amino-4-hydroxybenzoate}}
{{#set: common name=O-sinapoylcholine}}
+
{{#set: molecular weight=152.129   }}
{{#set: molecular weight=310.369   }}
+
{{#set: common name=3-amino-4-hydroxybenzoic acid|3,4-AHBA|5-amino saliciylic acid}}
{{#set: common name=sinapoylcholine|sinapine}}
+
{{#set: reversible reaction associated=RXN-13870}}
{{#set: produced by=2.3.1.91-RXN}}
+

Revision as of 19:13, 18 March 2018

Metabolite CPD-14873

  • smiles:
    • C(=O)([O-])C1(C=C(N)C(O)=CC=1)
  • inchi key:
    • InChIKey=MRBKRZAPGUCWOS-UHFFFAOYSA-M
  • common name:
    • 3-amino-4-hydroxybenzoate
  • molecular weight:
    • 152.129
  • Synonym(s):
    • 3-amino-4-hydroxybenzoic acid
    • 3,4-AHBA
    • 5-amino saliciylic 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-])C1(C=C(N)C(O)=CC=1)" cannot be used as a page name in this wiki.