Difference between revisions of "TCM3"

From metabolic_network
Jump to: navigation, search
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14425 CPD-14425] == * smiles: ** CCC=CCC=CCC=CCC=CCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STRICTOSIDINE STRICTOSIDINE] == * smiles: ** C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3)))...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14425 CPD-14425] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STRICTOSIDINE STRICTOSIDINE] ==
 
* smiles:
 
* smiles:
−
** CCC=CCC=CCC=CCC=CCC=CCCCC=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-]
+
** C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)OC)=COC4OC5(OC(C(C(C5O)O)O)CO))
 
* inchi key:
 
* inchi key:
−
** InChIKey=HGVXUTAEZALTIG-HKHRKLHHSA-J
+
** InChIKey=XBAMJZTXGWPTRM-AWTFMMIESA-O
 
* common name:
 
* common name:
−
** (2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA
+
** strictosidine
 
* molecular weight:
 
* molecular weight:
−
** 1073.981    
+
** 531.581    
 
* Synonym(s):
 
* Synonym(s):
−
** docosapentaenoyl-2-enoyl-CoA
+
** 3-α(S)-strictosidine
−
** (2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl-CoA
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-13445]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-13444]]
+
* [[STRICTOSIDINE-SYNTHASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 20824-29-7
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72551532 72551532]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44123291 44123291]
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=76461 76461]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17559 17559]
−
{{#set: smiles=CCC=CCC=CCC=CCC=CCC=CCCCC=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: inchi key=InChIKey=HGVXUTAEZALTIG-HKHRKLHHSA-J}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03470 C03470]
−
{{#set: common name=(2E,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA}}
+
{{#set: smiles=C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)OC)=COC4OC5(OC(C(C(C5O)O)O)CO))}}
−
{{#set: molecular weight=1073.981   }}
+
{{#set: inchi key=InChIKey=XBAMJZTXGWPTRM-AWTFMMIESA-O}}
−
{{#set: common name=docosapentaenoyl-2-enoyl-CoA|(2E,7Z,10Z,13Z,16Z,19Z)-docosa-2,7,10,13,16,19-hexaenoyl-CoA}}
+
{{#set: common name=strictosidine}}
−
{{#set: consumed by=RXN-13445}}
+
{{#set: molecular weight=531.581   }}
−
{{#set: produced by=RXN-13444}}
+
{{#set: common name=3-α(S)-strictosidine}}
 +
{{#set: produced by=STRICTOSIDINE-SYNTHASE-RXN}}

Revision as of 19:10, 18 March 2018

Metabolite STRICTOSIDINE

  • smiles:
    • C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)OC)=COC4OC5(OC(C(C(C5O)O)O)CO))
  • inchi key:
    • InChIKey=XBAMJZTXGWPTRM-AWTFMMIESA-O
  • common name:
    • strictosidine
  • molecular weight:
    • 531.581
  • Synonym(s):
    • 3-α(S)-strictosidine

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C=C[CH]4([CH](C[CH]3(C2(NC1(=CC=CC=C1C=2CC[N+]3))))C(C(=O)OC)=COC4OC5(OC(C(C(C5O)O)O)CO))" cannot be used as a page name in this wiki.



Retrieved from "http://gem-aureme.irisa.fr/tisogem/index.php?title=TCM3&oldid=22475"