Difference between revisions of "CPD-804"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE] == * smiles: **...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] == * smiles: ** C(CCC(O)CC(C([O-])=O)=O)([O-])=O * inchi key: ** InChIKey=HNOA...")
 
(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=BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-804 CPD-804] ==
 
* smiles:
 
* smiles:
−
** CC(=O)NC2(C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)
+
** C(CCC(O)CC(C([O-])=O)=O)([O-])=O
 
* inchi key:
 
* inchi key:
−
** InChIKey=KFEUJDWYNGMDBV-LODBTCKLSA-N
+
** InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
 
* common name:
 
* common name:
−
** β-D-galactosyl-1,4-N-acetyl-β-D-glucosamine
+
** (4S)-4-hydroxy-2-oxoheptanedioate
 
* molecular weight:
 
* molecular weight:
−
** 383.352    
+
** 188.137    
 
* Synonym(s):
 
* Synonym(s):
−
** β-D-galactosyl-1,4-N-acetyl-D-glucosamine
+
** 4-hydroxy-2-ketoheptane-1,7-dioate
−
** N-acetyllactosamine
+
** 2-oxo-4-hydroxyhepta-1,7-dioate
−
** β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine
+
** 4-hydroxy-2-oxo-heptanedioate
−
** type 2 core
+
** 4-hydroxy-2-ketopimelate
 +
** 2-keto-4-hydroxypimelate
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[RXN-15268]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 32181-59-2
 
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=439271 439271]
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=23615324 23615324]
−
* HMDB : HMDB01542
+
* CHEMSPIDER:
−
* LIGAND-CPD:
+
** [http://www.chemspider.com/Chemical-Structure.19951289.html 19951289]
−
** [http://www.genome.jp/dbget-bin/www_bget?C00611 C00611]
+
 
* CHEBI:
 
* CHEBI:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=16153 16153]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=73036 73036]
−
* METABOLIGHTS : MTBLC16153
+
* LIGAND-CPD:
−
{{#set: smiles=CC(=O)NC2(C(O)OC(CO)C(OC1(OC(CO)C(O)C(O)C(O)1))C(O)2)}}
+
** [http://www.genome.jp/dbget-bin/www_bget?C05601 C05601]
−
{{#set: inchi key=InChIKey=KFEUJDWYNGMDBV-LODBTCKLSA-N}}
+
{{#set: smiles=C(CCC(O)CC(C([O-])=O)=O)([O-])=O}}
−
{{#set: common name=β-D-galactosyl-1,4-N-acetyl-β-D-glucosamine}}
+
{{#set: inchi key=InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L}}
−
{{#set: molecular weight=383.352   }}
+
{{#set: common name=(4S)-4-hydroxy-2-oxoheptanedioate}}
−
{{#set: common name=β-D-galactosyl-1,4-N-acetyl-D-glucosamine|N-acetyllactosamine|β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine|type 2 core}}
+
{{#set: molecular weight=188.137   }}
−
{{#set: reversible reaction associated=RXN-15268}}
+
{{#set: common name=4-hydroxy-2-ketoheptane-1,7-dioate|2-oxo-4-hydroxyhepta-1,7-dioate|4-hydroxy-2-oxo-heptanedioate|4-hydroxy-2-ketopimelate|2-keto-4-hydroxypimelate}}
 +
{{#set: consumed by=4-HYDROXY-2-KETOPIMELATE-LYSIS-RXN}}

Latest revision as of 19:38, 21 March 2018

Metabolite CPD-804

  • smiles:
    • C(CCC(O)CC(C([O-])=O)=O)([O-])=O
  • inchi key:
    • InChIKey=HNOAJOYERZTSNK-BYPYZUCNSA-L
  • common name:
    • (4S)-4-hydroxy-2-oxoheptanedioate
  • molecular weight:
    • 188.137
  • Synonym(s):
    • 4-hydroxy-2-ketoheptane-1,7-dioate
    • 2-oxo-4-hydroxyhepta-1,7-dioate
    • 4-hydroxy-2-oxo-heptanedioate
    • 4-hydroxy-2-ketopimelate
    • 2-keto-4-hydroxypimelate

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C(CCC(O)CC(C([O-])=O)=O)([O-])=O" cannot be used as a page name in this wiki.



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