Difference between revisions of "RXNQT-4142"

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(Created page with "Category:Reaction == Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-6081 RXN-6081] == * direction: ** LEFT-TO-RIGHT * Synonym(s): == Reaction Formula == * With id...")
(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...")
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[[Category:Reaction]]
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[[Category:Metabolite]]
== Reaction [http://metacyc.org/META/NEW-IMAGE?object=RXN-6081 RXN-6081] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17046 CPD-17046] ==
* direction:
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* smiles:
** LEFT-TO-RIGHT
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** 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
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* common name:
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** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
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* inchi key:
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** InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L
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* molecular weight:
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** 842.848   
 
* Synonym(s):
 
* Synonym(s):
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** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP
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** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione
  
== Reaction Formula ==
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== Reaction(s) known to consume the compound ==
* With identifiers:
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== Reaction(s) known to produce the compound ==
** 1 [[Acceptor]][c] '''+''' 1 [[2-ACETO-LACTATE]][c] '''+''' 1 [[PROTON]][c] '''=>''' 1 [[CARBON-DIOXIDE]][c] '''+''' 1 [[Donor-H2]][c] '''+''' 1 [[DIACETYL]][c]
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* [[RXN-15680]]
* With common name(s):
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== Reaction(s) of unknown directionality ==
** 1 an oxidized electron acceptor[c] '''+''' 1 (S)-2-acetolactate[c] '''+''' 1 H+[c] '''=>''' 1 CO2[c] '''+''' 1 a reduced electron acceptor[c] '''+''' 1 diacetyl[c]
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== Genes associated with this reaction  ==
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== Pathways  ==
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* [[PWY-6389]], (S)-acetoin biosynthesis: [http://metacyc.org/META/NEW-IMAGE?object=PWY-6389 PWY-6389]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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* [[PWY-5938]], (R)-acetoin biosynthesis I: [http://metacyc.org/META/NEW-IMAGE?object=PWY-5938 PWY-5938]
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** '''2''' reactions found over '''3''' reactions in the full pathway
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== Reconstruction information  ==
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* Category: [[annotation]]
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** Source: [[annotation-experimental_annotation]]
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*** Tool: [[pathwaytools]]
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== External links  ==
 
== External links  ==
{{#set: direction=LEFT-TO-RIGHT}}
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* PUBCHEM:
{{#set: in pathway=PWY-6389|PWY-5938}}
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657797 90657797]
{{#set: reconstruction category=annotation}}
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{{#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}}
{{#set: reconstruction source=annotation-experimental_annotation}}
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{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
{{#set: reconstruction tool=pathwaytools}}
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{{#set: inchi key=InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L}}
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{{#set: molecular weight=842.848    }}
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{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione}}
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{{#set: produced by=RXN-15680}}

Revision as of 16:02, 21 March 2018

Metabolite CPD-17046

  • 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
  • common name:
    • 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
  • inchi key:
    • InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L
  • molecular weight:
    • 842.848
  • 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 produce the compound

Reaction(s) of unknown directionality

External links

"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" cannot be used as a page name in this wiki.