Difference between revisions of "CPD-4618"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=P-COUMAROYL-COA P-COUMAROYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(O)=...")
 
 
(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=P-COUMAROYL-COA P-COUMAROYL-COA] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4618 CPD-4618] ==
 
* smiles:
 
* smiles:
−
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
+
** CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO
 +
* molecular weight:
 +
** 381.388   
 
* inchi key:
 
* inchi key:
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** InChIKey=DMZOKBALNZWDKI-MATMFAIHSA-J
+
** InChIKey=HTDHRCLVWUEXIS-GIHYWFGSSA-N
 
* common name:
 
* common name:
−
** 4-coumaroyl-CoA
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** cis-zeatin-7-N-glucoside
−
* molecular weight:
+
−
** 909.648   
+
 
* Synonym(s):
 
* Synonym(s):
−
** p-coumaroyl-CoA
 
−
** 4-hydroxycinnamoyl-CoA
 
−
** 4-coumaryl-CoA
 
−
** p-coumaryl-CoA
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-11244]]
 
−
* [[RXN-1101]]
 
−
* [[NARINGENIN-CHALCONE-SYNTHASE-RXN]]
 
−
* [[RXN-3142]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[4-COUMARATE--COA-LIGASE-RXN]]
+
* [[RXN-4733]]
 
== 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=45266584 45266584]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244153 25244153]
−
* CHEBI:
+
* HMDB : HMDB12201
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15499 15499]
+
{{#set: smiles=CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO}}
−
* LIGAND-CPD:
+
{{#set: molecular weight=381.388   }}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00223 C00223]
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{{#set: inchi key=InChIKey=HTDHRCLVWUEXIS-GIHYWFGSSA-N}}
−
* HMDB : HMDB60153
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{{#set: common name=cis-zeatin-7-N-glucoside}}
−
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(O)=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}}
+
{{#set: produced by=RXN-4733}}
−
{{#set: inchi key=InChIKey=DMZOKBALNZWDKI-MATMFAIHSA-J}}
+
−
{{#set: common name=4-coumaroyl-CoA}}
+
−
{{#set: molecular weight=909.648   }}
+
−
{{#set: common name=p-coumaroyl-CoA|4-hydroxycinnamoyl-CoA|4-coumaryl-CoA|p-coumaryl-CoA}}
+
−
{{#set: consumed by=RXN-11244|RXN-1101|NARINGENIN-CHALCONE-SYNTHASE-RXN|RXN-3142}}
+
−
{{#set: produced by=4-COUMARATE--COA-LIGASE-RXN}}
+

Latest revision as of 15:08, 9 January 2019

Metabolite CPD-4618

  • smiles:
    • CC(=CCNC1(C2(=C(N=CN=1)N=CN2C3(C(C(C(C(O3)CO)O)O)O))))CO
  • molecular weight:
    • 381.388
  • inchi key:
    • InChIKey=HTDHRCLVWUEXIS-GIHYWFGSSA-N
  • common name:
    • cis-zeatin-7-N-glucoside
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links



Retrieved from "http://gem-aureme.irisa.fr/ccrgem/index.php?title=CPD-4618&oldid=19872"