Difference between revisions of "CPD-37"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=N-FORMYLKYNURENINE N-FORMYLKYNURENINE] == * smiles: ** [CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-37 CPD-37] == * smiles: ** [CH](=O)C(O)C(O)CC(=O)C(=O)[O-] * inchi key: ** InChIKey=IMUGYKF...")
 
(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=N-FORMYLKYNURENINE N-FORMYLKYNURENINE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-37 CPD-37] ==
 
* smiles:
 
* smiles:
** [CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[O-])
+
** [CH](=O)C(O)C(O)CC(=O)C(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=BYHJHXPTQMMKCA-QMMMGPOBSA-N
+
** InChIKey=IMUGYKFHMJLTOU-UCORVYFPSA-M
 
* common name:
 
* common name:
** N-formylkynurenine
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** 5-dehydro-4-deoxy-D-glucuronate
 
* molecular weight:
 
* molecular weight:
** 236.227    
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** 175.118    
 
* Synonym(s):
 
* Synonym(s):
** N-Formyl-L-kynurenine
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** 4-deoxy-L-threo-5-hexosulose uronate
 +
** 4,5-dihydroxy-2,6-dioxo-hexanoate
 +
** (4S,5R)-4,5-dihydroxy-2,6-dioxohexanoate
 +
** 5-keto-4-deoxyuronate
 +
** DKI
 +
** 4-deoxy-5-ketouronic acid
  
 
== 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 ==
* [[RXN-8665]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 +
* [[RXN-16475]]
 
== External links  ==
 
== External links  ==
* CAS : 1022-31-7
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25202092 25202092]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=9548606 9548606]
 +
* CHEMSPIDER:
 +
** [http://www.chemspider.com/Chemical-Structure.7827529.html 7827529]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58629 58629]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17117 17117]
 
* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C02700 C02700]
+
** [http://www.genome.jp/dbget-bin/www_bget?C04053 C04053]
* HMDB : HMDB60485
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{{#set: smiles=[CH](=O)C(O)C(O)CC(=O)C(=O)[O-]}}
{{#set: smiles=[CH](=O)NC1(C=CC=CC=1C(=O)CC([N+])C(=O)[O-])}}
+
{{#set: inchi key=InChIKey=IMUGYKFHMJLTOU-UCORVYFPSA-M}}
{{#set: inchi key=InChIKey=BYHJHXPTQMMKCA-QMMMGPOBSA-N}}
+
{{#set: common name=5-dehydro-4-deoxy-D-glucuronate}}
{{#set: common name=N-formylkynurenine}}
+
{{#set: molecular weight=175.118   }}
{{#set: molecular weight=236.227   }}
+
{{#set: common name=4-deoxy-L-threo-5-hexosulose uronate|4,5-dihydroxy-2,6-dioxo-hexanoate|(4S,5R)-4,5-dihydroxy-2,6-dioxohexanoate|5-keto-4-deoxyuronate|DKI|4-deoxy-5-ketouronic acid}}
{{#set: common name=N-Formyl-L-kynurenine}}
+
{{#set: reversible reaction associated=RXN-16475}}
{{#set: produced by=RXN-8665}}
+

Latest revision as of 19:37, 21 March 2018

Metabolite CPD-37

  • smiles:
    • [CH](=O)C(O)C(O)CC(=O)C(=O)[O-]
  • inchi key:
    • InChIKey=IMUGYKFHMJLTOU-UCORVYFPSA-M
  • common name:
    • 5-dehydro-4-deoxy-D-glucuronate
  • molecular weight:
    • 175.118
  • Synonym(s):
    • 4-deoxy-L-threo-5-hexosulose uronate
    • 4,5-dihydroxy-2,6-dioxo-hexanoate
    • (4S,5R)-4,5-dihydroxy-2,6-dioxohexanoate
    • 5-keto-4-deoxyuronate
    • DKI
    • 4-deoxy-5-ketouronic acid

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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