Difference between revisions of "RXN-9951"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-409 CPD-409] == * common name: ** a 2-monoglyceride * Synonym(s): ** a 2-acylglycerol ** a...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] == * smiles: ** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O) * inchi key: ** InChIKe...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-409 CPD-409] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] ==
 +
* smiles:
 +
** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
 +
* inchi key:
 +
** InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
 
* common name:
 
* common name:
** a 2-monoglyceride
+
** sinapate
 +
* molecular weight:
 +
** 223.205   
 
* Synonym(s):
 
* Synonym(s):
** a 2-acylglycerol
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** 3,5-dimethoxy-4-hydroxycinnamate
** a 2-glyceride
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** sinapinate
** a 2-MAG
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** sinapinic acid
 +
** sinapic acid
 +
** 3,5-dimethoxy-4-hydroxycinnamic acid
 +
** 4-hydroxy-3,5-dimethoxycinnamate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-1603]]
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* [[RXN-10919]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
* [[RXN-1602]]
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* [[RXN-3422]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN-12383]]
 
 
== External links  ==
 
== External links  ==
{{#set: common name=a 2-monoglyceride}}
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* NCI:
{{#set: common name=a 2-acylglycerol|a 2-glyceride|a 2-MAG}}
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** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261]
{{#set: consumed by=RXN-1603}}
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* CAS : 530-59-6
{{#set: produced by=RXN-1602}}
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* PUBCHEM:
{{#set: consumed or produced by=RXN-12383}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54710960 54710960]
 +
* HMDB : HMDB32616
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00482 C00482]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878]
 +
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023]
 +
{{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}}
 +
{{#set: inchi key=InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M}}
 +
{{#set: common name=sinapate}}
 +
{{#set: molecular weight=223.205    }}
 +
{{#set: common name=3,5-dimethoxy-4-hydroxycinnamate|sinapinate|sinapinic acid|sinapic acid|3,5-dimethoxy-4-hydroxycinnamic acid|4-hydroxy-3,5-dimethoxycinnamate}}
 +
{{#set: consumed by=RXN-10919}}
 +
{{#set: produced by=RXN-3422}}

Revision as of 22:46, 17 March 2018

Metabolite SINAPATE

  • smiles:
    • COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
  • inchi key:
    • InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
  • common name:
    • sinapate
  • molecular weight:
    • 223.205
  • Synonym(s):
    • 3,5-dimethoxy-4-hydroxycinnamate
    • sinapinate
    • sinapinic acid
    • sinapic acid
    • 3,5-dimethoxy-4-hydroxycinnamic acid
    • 4-hydroxy-3,5-dimethoxycinnamate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)" cannot be used as a page name in this wiki.