Difference between revisions of "CPD1F-90"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17046 CPD-17046] == * smiles: ** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)C...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-90 CPD1F-90] == * smiles: ** C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3) *...")
 
(One intermediate revision by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17046 CPD-17046] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1F-90 CPD1F-90] ==
 
* smiles:
 
* smiles:
−
** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)NC(=O)2))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O
+
** C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)
 
* inchi key:
 
* inchi key:
−
** InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L
+
** InChIKey=IYRMWMYZSQPJKC-UHFFFAOYSA-M
 
* common name:
 
* common name:
−
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
+
** kaempferol
 
* molecular weight:
 
* molecular weight:
−
** 842.848    
+
** 285.232    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP
 
−
** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[RXN-15681]]
+
* [[RXN1F-461]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-15680]]
+
* [[RXN1F-93]]
 
== 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=90657797 90657797]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202062 25202062]
−
{{#set: smiles=C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)(CO)NC(=O)2))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O}}
+
* CHEBI:
−
{{#set: inchi key=InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L}}
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58573 58573]
−
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
+
* LIGAND-CPD:
−
{{#set: molecular weight=842.848   }}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05903 C05903]
−
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione}}
+
* HMDB : HMDB05801
−
{{#set: consumed by=RXN-15681}}
+
{{#set: smiles=C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)}}
−
{{#set: produced by=RXN-15680}}
+
{{#set: inchi key=InChIKey=IYRMWMYZSQPJKC-UHFFFAOYSA-M}}
 +
{{#set: common name=kaempferol}}
 +
{{#set: molecular weight=285.232   }}
 +
{{#set: consumed by=RXN1F-461}}
 +
{{#set: produced by=RXN1F-93}}

Latest revision as of 19:55, 21 March 2018

Metabolite CPD1F-90

  • smiles:
    • C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)
  • inchi key:
    • InChIKey=IYRMWMYZSQPJKC-UHFFFAOYSA-M
  • common name:
    • kaempferol
  • molecular weight:
    • 285.232
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C3(C=C(O)C=CC(C1(=C([O-])C(=O)C2(C(O)=CC(O)=CC(O1)=2)))=3)" cannot be used as a page name in this wiki.



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