Difference between revisions of "CPD-597"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=FERULIC-ACID FERULIC-ACID] == * smiles: ** COC1(=CC(C=CC([O-])=O)=CC=C(O)1) * inchi key: ** InC...")
 
 
(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=FERULIC-ACID FERULIC-ACID] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-597 CPD-597] ==
 
* smiles:
 
* smiles:
** COC1(=CC(C=CC([O-])=O)=CC=C(O)1)
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** C(CCCNC(N)=O)[N+]
 +
* molecular weight:
 +
** 132.185   
 
* inchi key:
 
* inchi key:
** InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M
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** InChIKey=YANFYYGANIYHGI-UHFFFAOYSA-O
 
* common name:
 
* common name:
** ferulate
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** N-carbamoylputrescine
* molecular weight:
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** 193.179   
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* Synonym(s):
 
* Synonym(s):
** ferulic acid
 
** 3-methoxy-4-hydroxycinnamic acid
 
** caffeic acid 3-methyl ether
 
** 4-hydroxy-3-methoxycinnamic acid
 
** 3-methoxy-4-hydroxy-trans-cinnamate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[6.2.1.34-RXN]]
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* [[N-CARBAMOYLPUTRESCINE-AMIDASE-RXN]]
* [[RXN-1121]]
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== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* CAS : 1135-24-6
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* CHEBI:
 +
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58318 58318]
 +
* CAS : 6851-51-0
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54691413 54691413]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244388 25244388]
* HMDB : HMDB00954
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C01494 C01494]
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** [http://www.genome.jp/dbget-bin/www_bget?C00436 C00436]
* CHEMSPIDER:
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* HMDB : HMDB33458
** [http://www.chemspider.com/Chemical-Structure.4573888.html 4573888]
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{{#set: smiles=C(CCCNC(N)=O)[N+]}}
* CHEBI:
+
{{#set: molecular weight=132.185    }}
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=29749 29749]
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{{#set: inchi key=InChIKey=YANFYYGANIYHGI-UHFFFAOYSA-O}}
* METABOLIGHTS : MTBLC29749
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{{#set: common name=N-carbamoylputrescine}}
{{#set: smiles=COC1(=CC(C=CC([O-])=O)=CC=C(O)1)}}
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{{#set: consumed by=N-CARBAMOYLPUTRESCINE-AMIDASE-RXN}}
{{#set: inchi key=InChIKey=KSEBMYQBYZTDHS-HWKANZROSA-M}}
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{{#set: common name=ferulate}}
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{{#set: molecular weight=193.179    }}
+
{{#set: common name=ferulic acid|3-methoxy-4-hydroxycinnamic acid|caffeic acid 3-methyl ether|4-hydroxy-3-methoxycinnamic acid|3-methoxy-4-hydroxy-trans-cinnamate}}
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{{#set: consumed by=6.2.1.34-RXN|RXN-1121}}
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Latest revision as of 16:00, 9 January 2019

Metabolite CPD-597

  • smiles:
    • C(CCCNC(N)=O)[N+]
  • molecular weight:
    • 132.185
  • inchi key:
    • InChIKey=YANFYYGANIYHGI-UHFFFAOYSA-O
  • common name:
    • N-carbamoylputrescine
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(CCCNC(N)=O)[N+" cannot be used as a page name in this wiki.