Difference between revisions of "PWY-6317"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15016 CPD-15016] == * smiles: ** C(C(=O)C([O-])=O)C(C([O-])=O)O * inchi key: ** InChIKey=WX...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1345 CPD1G-1345] == * smiles: ** CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15016 CPD-15016] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD1G-1345 CPD1G-1345] ==
 
* smiles:
 
* smiles:
−
** C(C(=O)C([O-])=O)C(C([O-])=O)O
+
** CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)
 
* inchi key:
 
* inchi key:
−
** InChIKey=WXSKVKPSMAHCSG-REOHCLBHSA-L
+
** InChIKey=BRQKYADGWZGFAR-ZVNWTMLTSA-N
 
* common name:
 
* common name:
−
** (4S)-4-hydroxy-2-oxoglutarate
+
** trehalose-cis-methoxy-mono-mycolate
 
* molecular weight:
 
* molecular weight:
−
** 160.083    
+
** 1578.544    
 
* Synonym(s):
 
* Synonym(s):
−
** L-4-hydroxy-2-oxoglutarate
 
−
** L-4-hydroxy-2-ketoglutarate
 
−
** (S)-2-hydroxy-4-oxopentanedioate
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN1G-1436]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-13990]]
 
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=70698337 70698337]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657560 90657560]
−
* CHEBI:
+
{{#set: smiles=CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)}}
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=71685 71685]
+
{{#set: inchi key=InChIKey=BRQKYADGWZGFAR-ZVNWTMLTSA-N}}
−
* METABOLIGHTS : MTBLC71685
+
{{#set: common name=trehalose-cis-methoxy-mono-mycolate}}
−
{{#set: smiles=C(C(=O)C([O-])=O)C(C([O-])=O)O}}
+
{{#set: molecular weight=1578.544   }}
−
{{#set: inchi key=InChIKey=WXSKVKPSMAHCSG-REOHCLBHSA-L}}
+
{{#set: produced by=RXN1G-1436}}
−
{{#set: common name=(4S)-4-hydroxy-2-oxoglutarate}}
+
−
{{#set: molecular weight=160.083   }}
+
−
{{#set: common name=L-4-hydroxy-2-oxoglutarate|L-4-hydroxy-2-ketoglutarate|(S)-2-hydroxy-4-oxopentanedioate}}
+
−
{{#set: reversible reaction associated=RXN-13990}}
+

Revision as of 13:34, 21 March 2018

Metabolite CPD1G-1345

  • smiles:
    • CCCCCCCCCCCCCCCCCCCCCCCCC(C(OCC1(OC(C(C(C1O)O)O)OC2(C(C(C(C(O2)CO)O)O)O)))=O)C(O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)
  • inchi key:
    • InChIKey=BRQKYADGWZGFAR-ZVNWTMLTSA-N
  • common name:
    • trehalose-cis-methoxy-mono-mycolate
  • molecular weight:
    • 1578.544
  • Synonym(s):

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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