Difference between revisions of "RXN-15127"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-3-GLUCOSIDE-CMPD PELARGONIDIN-3-GLUCOSIDE-CMPD] == * smiles: ** C(O)C1(C(O)C(O)C(O...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14900 CPD-14900] == * smiles: ** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2C...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-3-GLUCOSIDE-CMPD PELARGONIDIN-3-GLUCOSIDE-CMPD] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14900 CPD-14900] ==
 
* smiles:
 
* smiles:
−
** C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))
+
** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
 
* inchi key:
 
* inchi key:
−
** InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M
+
** InChIKey=ARVGMISWLZPBCH-WGDHXTRRSA-N
 
* common name:
 
* common name:
−
** pelargonidin-3-O-β-D-glucoside
+
** porifersta-5,7-dienol
 
* molecular weight:
 
* molecular weight:
−
** 431.375    
+
** 412.698    
 
* Synonym(s):
 
* Synonym(s):
−
** callistephin
+
** 24S-ethylcholesta-5,7-dien-3β-ol
−
** 3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
+
** 7-dehydroclionasterol
 +
** moonisterol
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-7828]]
 
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-13892]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
 +
* CAS : 24057-73-6
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=443649 443649]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=16058079 16058079]
−
* CHEBI:
+
{{#set: smiles=CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31967 31967]
+
{{#set: inchi key=InChIKey=ARVGMISWLZPBCH-WGDHXTRRSA-N}}
−
* METABOLIGHTS : MTBLC31967
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{{#set: common name=porifersta-5,7-dienol}}
−
* LIGAND-CPD:
+
{{#set: molecular weight=412.698   }}
−
** [http://www.genome.jp/dbget-bin/www_bget?C12137 C12137]
+
{{#set: common name=24S-ethylcholesta-5,7-dien-3β-ol|7-dehydroclionasterol|moonisterol}}
−
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))}}
+
{{#set: produced by=RXN-13892}}
−
{{#set: inchi key=InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M}}
+
−
{{#set: common name=pelargonidin-3-O-β-D-glucoside}}
+
−
{{#set: molecular weight=431.375   }}
+
−
{{#set: common name=callistephin|3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride}}
+
−
{{#set: consumed by=RXN-7828}}
+

Revision as of 22:32, 17 March 2018

Metabolite CPD-14900

  • smiles:
    • CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
  • inchi key:
    • InChIKey=ARVGMISWLZPBCH-WGDHXTRRSA-N
  • common name:
    • porifersta-5,7-dienol
  • molecular weight:
    • 412.698
  • Synonym(s):
    • 24S-ethylcholesta-5,7-dien-3β-ol
    • 7-dehydroclionasterol
    • moonisterol

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CCC(C(C)C)CCC(C)[CH]3(CC[CH]4(C2(=CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))" cannot be used as a page name in this wiki.



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