Difference between revisions of "Tiso gene 15176"

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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-17049 CPD-17049] == * smiles: ** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2) * inchi key:...")
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-17049 CPD-17049] ==
 
* 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-])))
+
** C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
 
* inchi key:
 
* inchi key:
−
** InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M
+
** InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
 
* common name:
 
* common name:
−
** pelargonidin-3-O-β-D-glucoside
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
 
* molecular weight:
 
* molecular weight:
−
** 431.375    
+
** 298.374    
 
* Synonym(s):
 
* Synonym(s):
−
** callistephin
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
−
** 3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
+
** 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
 +
** 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-7828]]
+
* [[RXN-15684]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== 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=102515300 102515300]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658023 90658023]
−
* CHEBI:
+
{{#set: smiles=C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31967 31967]
+
{{#set: inchi key=InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N}}
−
* METABOLIGHTS : MTBLC31967
+
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine}}
−
* LIGAND-CPD:
+
{{#set: molecular weight=298.374   }}
−
** [http://www.genome.jp/dbget-bin/www_bget?C12137 C12137]
+
{{#set: common name=3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP|3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione}}
−
{{#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: consumed by=RXN-15684}}
−
{{#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 16:58, 10 January 2018

Metabolite CPD-17049

  • smiles:
    • C(O)C2(S)(NC(=O)C(S)(CC1(=CC=CC=C1))NC(=O)2)
  • inchi key:
    • InChIKey=VZGSJJJQZPTKGR-VXGBXAGGSA-N
  • common name:
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-diketopiperazine
  • molecular weight:
    • 298.374
  • Synonym(s):
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -dithio-6-(hydroxymethyl)piperazine-2,5-dione
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-diketopiperazine
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)-DKP
    • 3-benzyl-3,6 -disulfanyl- 6-(hydroxymethyl)piperazine-2,5-dione

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links




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