Difference between revisions of "CPD-11529"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IMIDAZOLE_ACETALDEHYDE IMIDAZOLE_ACETALDEHYDE] == * smiles: ** C1(NC=NC(CC=O)=1) * inchi key: *...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11529 CPD-11529] == * smiles: ** CCC=CCC4(C(=O)CCC(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=IMIDAZOLE_ACETALDEHYDE IMIDAZOLE_ACETALDEHYDE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11529 CPD-11529] ==
 
* smiles:
 
* smiles:
** C1(NC=NC(CC=O)=1)
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** CCC=CCC4(C(=O)CCC(CC(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-])=O)4)
 
* inchi key:
 
* inchi key:
** InChIKey=MQSRGWNVEZRLDK-UHFFFAOYSA-N
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** InChIKey=WQKKCPPNDKSAIU-PCDAEQFSSA-J
 
* common name:
 
* common name:
** imidazole acetaldehyde
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** jasmonoyl-CoA
 
* molecular weight:
 
* molecular weight:
** 110.115    
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** 955.76    
 
* Synonym(s):
 
* Synonym(s):
** (imidazol-4-yl)acetaldehyde
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-10089]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-10701]]
 
== 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=150841 150841]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44237154 44237154]
* HMDB : HMDB03905
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{{#set: smiles=CCC=CCC4(C(=O)CCC(CC(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-])=O)4)}}
* LIGAND-CPD:
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{{#set: inchi key=InChIKey=WQKKCPPNDKSAIU-PCDAEQFSSA-J}}
** [http://www.genome.jp/dbget-bin/www_bget?C05130 C05130]
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{{#set: common name=jasmonoyl-CoA}}
* CHEMSPIDER:
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{{#set: molecular weight=955.76   }}
** [http://www.chemspider.com/Chemical-Structure.11271820.html 11271820]
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{{#set: produced by=RXN-10701}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27398 27398]
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* METABOLIGHTS : MTBLC27398
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{{#set: smiles=C1(NC=NC(CC=O)=1)}}
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{{#set: inchi key=InChIKey=MQSRGWNVEZRLDK-UHFFFAOYSA-N}}
+
{{#set: common name=imidazole acetaldehyde}}
+
{{#set: molecular weight=110.115   }}
+
{{#set: common name=(imidazol-4-yl)acetaldehyde}}
+
{{#set: consumed by=RXN-10089}}
+

Revision as of 16:42, 23 May 2018

Metabolite CPD-11529

  • smiles:
    • CCC=CCC4(C(=O)CCC(CC(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-])=O)4)
  • inchi key:
    • InChIKey=WQKKCPPNDKSAIU-PCDAEQFSSA-J
  • common name:
    • jasmonoyl-CoA
  • molecular weight:
    • 955.76
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC=CCC4(C(=O)CCC(CC(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-])=O)4)" cannot be used as a page name in this wiki.