Difference between revisions of "Ec-15 001600"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=G3P G3P] == * smiles: ** C(OP(=O)([O-])[O-])C(O)C(=O)[O-] * inchi key: ** InChIKey=OSJPPGNTCRNQ...")
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=G3P G3P] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17046 CPD-17046] ==
 
* smiles:
 
* smiles:
−
** C(OP(=O)([O-])[O-])C(O)C(=O)[O-]
+
** 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
 
* inchi key:
 
* inchi key:
−
** InChIKey=OSJPPGNTCRNQQC-UWTATZPHSA-K
+
** InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L
 
* common name:
 
* common name:
−
** 3-phospho-D-glycerate
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** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
 
* molecular weight:
 
* molecular weight:
−
** 183.034    
+
** 842.848    
 
* Synonym(s):
 
* Synonym(s):
−
** 3-phospho-(R)-glycerate
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** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP
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** 3-phospho-D-glyceric acid
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** 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione
−
** 3-P-D-glycerate
+
−
** D-glycerate-3-P
+
−
** D-glycerate 3-phosphate
+
−
** 3-phosphoglycerate
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−
** D-3-phosphoglycerate
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3-PHOSPHOGLYCERATE-PHOSPHATASE-RXN]]
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* [[RXN-15681]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
−
* [[RXN-961]]
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* [[RXN-15680]]
−
* [[GLY3KIN-RXN]]
+
−
* [[RIBULOSE-BISPHOSPHATE-CARBOXYLASE-RXN]]
+
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[3PGAREARR-RXN]]
 
−
* [[PGLYCDEHYDROG-RXN]]
 
−
* [[RXN-15513]]
 
−
* [[PHOSGLYPHOS-RXN]]
 
−
* [[RXN-15511]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 820-11-1
 
−
* BIGG : 34230
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245548 25245548]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657797 90657797]
−
* HMDB : HMDB60180
+
{{#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}}
−
* LIGAND-CPD:
+
{{#set: inchi key=InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L}}
−
** [http://www.genome.jp/dbget-bin/www_bget?C00197 C00197]
+
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine}}
−
* CHEBI:
+
{{#set: molecular weight=842.848   }}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58272 58272]
+
{{#set: common name=3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)piperazine-2,5-dione}}
−
* METABOLIGHTS : MTBLC58272
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{{#set: consumed by=RXN-15681}}
−
{{#set: smiles=C(OP(=O)([O-])[O-])C(O)C(=O)[O-]}}
+
{{#set: produced by=RXN-15680}}
−
{{#set: inchi key=InChIKey=OSJPPGNTCRNQQC-UWTATZPHSA-K}}
+
−
{{#set: common name=3-phospho-D-glycerate}}
+
−
{{#set: molecular weight=183.034   }}
+
−
{{#set: common name=3-phospho-(R)-glycerate|3-phospho-D-glyceric acid|3-P-D-glycerate|D-glycerate-3-P|D-glycerate 3-phosphate|3-phosphoglycerate|D-3-phosphoglycerate}}
+
−
{{#set: consumed by=3-PHOSPHOGLYCERATE-PHOSPHATASE-RXN}}
+
−
{{#set: produced by=RXN-961|GLY3KIN-RXN|RIBULOSE-BISPHOSPHATE-CARBOXYLASE-RXN}}
+
−
{{#set: reversible reaction associated=3PGAREARR-RXN|PGLYCDEHYDROG-RXN|RXN-15513|PHOSGLYPHOS-RXN|RXN-15511}}
+

Revision as of 13:55, 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
  • inchi key:
    • InChIKey=YJISLDWVIYDIOE-WGTGPSAHSA-L
  • common name:
    • 3-benzyl-3,6 -bis(glutathione)- 6-(hydroxymethyl)-diketopiperazine
  • 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.




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