Difference between revisions of "RXN-16418"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...")
 
(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...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-37 CPD-37] ==
 
* smiles:
 
* smiles:
−
** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO
+
** [CH](=O)C(O)C(O)CC(=O)C(=O)[O-]
 
* inchi key:
 
* inchi key:
−
** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
+
** InChIKey=IMUGYKFHMJLTOU-UCORVYFPSA-M
 
* common name:
 
* common name:
−
** (S)-3-hydroxy-isobutanoyl-CoA
+
** 5-dehydro-4-deoxy-D-glucuronate
 
* molecular weight:
 
* molecular weight:
−
** 849.593    
+
** 175.118    
 
* Synonym(s):
 
* Synonym(s):
−
** (S)-3-hydroxy-2-methylpropanoyl-CoA
+
** 4-deoxy-L-threo-5-hexosulose uronate
−
** (S)-3-hydroxy-isobutyryl-coenzyme A
+
** 4,5-dihydroxy-2,6-dioxo-hexanoate
−
** (S)-3-Hydroxy-2-methylpropionyl-CoA
+
** (4S,5R)-4,5-dihydroxy-2,6-dioxohexanoate
−
** (S)-β-hydroxy-isobutyryl-CoA
+
** 5-keto-4-deoxyuronate
−
** (S)-3-hydroxy-isobutyryl-CoA
+
** DKI
 +
** 4-deoxy-5-ketouronic acid
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-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 ==
−
* [[METHYLACYLYLCOA-HYDROXY-RXN]]
+
* [[RXN-16475]]
 
== External links  ==
 
== External links  ==
 
* PUBCHEM:
 
* PUBCHEM:
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173510 46173510]
+
** [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=62611 62611]
+
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17117 17117]
−
* METABOLIGHTS : MTBLC28259
+
 
* LIGAND-CPD:
 
* LIGAND-CPD:
−
** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000]
+
** [http://www.genome.jp/dbget-bin/www_bget?C04053 C04053]
−
{{#set: smiles=CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO}}
+
{{#set: smiles=[CH](=O)C(O)C(O)CC(=O)C(=O)[O-]}}
−
{{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}}
+
{{#set: inchi key=InChIKey=IMUGYKFHMJLTOU-UCORVYFPSA-M}}
−
{{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}}
+
{{#set: common name=5-dehydro-4-deoxy-D-glucuronate}}
−
{{#set: molecular weight=849.593   }}
+
{{#set: molecular weight=175.118   }}
−
{{#set: common name=(S)-3-hydroxy-2-methylpropanoyl-CoA|(S)-3-hydroxy-isobutyryl-coenzyme A|(S)-3-Hydroxy-2-methylpropionyl-CoA|(S)-β-hydroxy-isobutyryl-CoA|(S)-3-hydroxy-isobutyryl-CoA}}
+
{{#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: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}}
+
{{#set: reversible reaction associated=RXN-16475}}
−
{{#set: consumed or produced by=METHYLACYLYLCOA-HYDROXY-RXN}}
+

Revision as of 21:28, 17 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.



Retrieved from "http://gem-aureme.irisa.fr/ectogem/index.php?title=RXN-16418&oldid=13115"