Difference between revisions of "CPD-15654"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARATE COUMARATE] == * smiles: ** C(=O)([O-])C=CC1(=CC=C(O)C=C1) * common name: ** 4-coumara...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15654 CPD-15654] == * smiles: ** CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O...")
 
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=COUMARATE COUMARATE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15654 CPD-15654] ==
 
* smiles:
 
* smiles:
−
** C(=O)([O-])C=CC1(=CC=C(O)C=C1)
+
** CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
 
* common name:
 
* common name:
−
** 4-coumarate
+
** 2-trans, 4-cis-undecadienoyl-CoA
 
* inchi key:
 
* inchi key:
−
** InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M
+
** InChIKey=SZKPLUULGGERFD-NFPSBOAPSA-J
 
* molecular weight:
 
* molecular weight:
−
** 163.152    
+
** 927.749    
 
* Synonym(s):
 
* Synonym(s):
−
** 4-hydroxycinnamate
+
** 2E, 4Z-undecadienoyl-CoA
−
** 4-hydroxycinnamic acid
+
−
** p-coumarate
+
−
** trans-4-hydroxycinnamate
+
−
** p-coumaric acid
+
−
** trans-p-hydroxycinnamate
+
−
** trans-4-coumarate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[4-COUMARATE--COA-LIGASE-RXN]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[TRANS-CINNAMATE-4-MONOOXYGENASE-RXN]]
+
* [[RXN-14775]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
−
* CAS : 7400-08-0
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54708745 54708745]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658228 90658228]
−
* HMDB : HMDB02035
+
{{#set: smiles=CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]}}
−
* LIGAND-CPD:
+
{{#set: common name=2-trans, 4-cis-undecadienoyl-CoA}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00811 C00811]
+
{{#set: inchi key=InChIKey=SZKPLUULGGERFD-NFPSBOAPSA-J}}
−
* CHEMSPIDER:
+
{{#set: molecular weight=927.749   }}
−
** [http://www.chemspider.com/Chemical-Structure.4450678.html 4450678]
+
{{#set: common name=2E, 4Z-undecadienoyl-CoA}}
−
* CHEBI:
+
{{#set: produced by=RXN-14775}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=12876 12876]
+
−
* METABOLIGHTS : MTBLC12876
+
−
{{#set: smiles=C(=O)([O-])C=CC1(=CC=C(O)C=C1)}}
+
−
{{#set: common name=4-coumarate}}
+
−
{{#set: inchi key=InChIKey=NGSWKAQJJWESNS-ZZXKWVIFSA-M}}
+
−
{{#set: molecular weight=163.152   }}
+
−
{{#set: common name=4-hydroxycinnamate|4-hydroxycinnamic acid|p-coumarate|trans-4-hydroxycinnamate|p-coumaric acid|trans-p-hydroxycinnamate|trans-4-coumarate}}
+
−
{{#set: consumed by=4-COUMARATE--COA-LIGASE-RXN}}
+
−
{{#set: produced by=TRANS-CINNAMATE-4-MONOOXYGENASE-RXN}}
+

Latest revision as of 20:05, 21 March 2018

Metabolite CPD-15654

  • smiles:
    • CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]
  • common name:
    • 2-trans, 4-cis-undecadienoyl-CoA
  • inchi key:
    • InChIKey=SZKPLUULGGERFD-NFPSBOAPSA-J
  • molecular weight:
    • 927.749
  • Synonym(s):
    • 2E, 4Z-undecadienoyl-CoA

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=CPD-15654&oldid=45899"