Difference between revisions of "RXN-17019"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-323 CPD-323] == * smiles: ** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(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-323 CPD-323] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=STRICTOSIDINE STRICTOSIDINE] ==
 
* smiles:
 
* smiles:
−
** CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))
+
** 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=NYOXRYYXRWJDKP-GYKMGIIDSA-N
+
 
* common name:
 
* common name:
−
** cholest-4-en-3-one
+
** strictosidine
 +
* inchi key:
 +
** InChIKey=XBAMJZTXGWPTRM-AWTFMMIESA-O
 
* molecular weight:
 
* molecular weight:
−
** 384.644    
+
** 531.581    
 
* Synonym(s):
 
* Synonym(s):
−
** cholestenone
+
** 3-α(S)-strictosidine
−
** 4-cholesten-3-one
+
−
** 4-cholestene-3-one
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[STRICTOSIDINE-SYNTHASE-RXN]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[CHOLESTENONE-5-ALPHA-REDUCTASE-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 601-57-0
+
* CAS : 20824-29-7
−
* LIPID_MAPS : LMST01010015
+
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=91477 91477]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=44123291 44123291]
−
* HMDB : HMDB00921
+
−
* LIGAND-CPD:
+
−
** [http://www.genome.jp/dbget-bin/www_bget?C00599 C00599]
+
−
* CHEMSPIDER:
+
−
** [http://www.chemspider.com/Chemical-Structure.82602.html 82602]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16175 16175]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17559 17559]
−
{{#set: smiles=CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))}}
+
* LIGAND-CPD:
−
{{#set: inchi key=InChIKey=NYOXRYYXRWJDKP-GYKMGIIDSA-N}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C03470 C03470]
−
{{#set: common name=cholest-4-en-3-one}}
+
{{#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=384.644   }}
+
{{#set: common name=strictosidine}}
−
{{#set: common name=cholestenone|4-cholesten-3-one|4-cholestene-3-one}}
+
{{#set: inchi key=InChIKey=XBAMJZTXGWPTRM-AWTFMMIESA-O}}
−
{{#set: reversible reaction associated=CHOLESTENONE-5-ALPHA-REDUCTASE-RXN}}
+
{{#set: molecular weight=531.581   }}
 +
{{#set: common name=3-α(S)-strictosidine}}
 +
{{#set: produced by=STRICTOSIDINE-SYNTHASE-RXN}}

Revision as of 16:02, 21 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))
  • common name:
    • strictosidine
  • inchi key:
    • InChIKey=XBAMJZTXGWPTRM-AWTFMMIESA-O
  • 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.



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