Difference between revisions of "CPD-13534"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLC GLC] == * smiles: ** C(O)C1(OC(O)C(O)C(O)C(O)1) * common name: ** β-D-glucopyranose *...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13534 CPD-13534] == * smiles: ** CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OC...")
 
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=GLC GLC] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13534 CPD-13534] ==
 
* smiles:
 
* smiles:
** C(O)C1(OC(O)C(O)C(O)C(O)1)
+
** CCC(=O)CC(=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-]
 
* common name:
 
* common name:
** β-D-glucopyranose
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** β-ketovaleryl-CoA
 
* inchi key:
 
* inchi key:
** InChIKey=WQZGKKKJIJFFOK-VFUOTHLCSA-N
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** InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J
 
* molecular weight:
 
* molecular weight:
** 180.157    
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** 861.604    
 
* Synonym(s):
 
* Synonym(s):
** β-D-glucose
 
** β-glucose
 
  
 
== 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-14349]]
 
* [[TREHALA-RXN]]
 
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[ALDOSE-1-EPIMERASE-RXN]]
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* [[RXN-12560]]
 +
* [[RXN-12561]]
 
== External links  ==
 
== External links  ==
* CAS : 50-99-7
 
* BIGG : glc__D
 
* DRUGBANK : DB02379
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=64689 64689]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658928 90658928]
* HMDB : HMDB00516
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{{#set: smiles=CCC(=O)CC(=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-]}}
* LIGAND-CPD:
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{{#set: common name=β-ketovaleryl-CoA}}
** [http://www.genome.jp/dbget-bin/www_bget?C00221 C00221]
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{{#set: inchi key=InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J}}
* CHEMSPIDER:
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{{#set: molecular weight=861.604   }}
** [http://www.chemspider.com/Chemical-Structure.18802415.html 18802415]
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{{#set: reversible reaction associated=RXN-12560|RXN-12561}}
* CHEBI:
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15903 15903]
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* METABOLIGHTS : MTBLC15903
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{{#set: smiles=C(O)C1(OC(O)C(O)C(O)C(O)1)}}
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{{#set: common name=β-D-glucopyranose}}
+
{{#set: inchi key=InChIKey=WQZGKKKJIJFFOK-VFUOTHLCSA-N}}
+
{{#set: molecular weight=180.157   }}
+
{{#set: common name=β-D-glucose|β-glucose}}
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{{#set: produced by=RXN-14349|TREHALA-RXN}}
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{{#set: reversible reaction associated=ALDOSE-1-EPIMERASE-RXN}}
+

Latest revision as of 19:34, 21 March 2018

Metabolite CPD-13534

  • smiles:
    • CCC(=O)CC(=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-]
  • common name:
    • β-ketovaleryl-CoA
  • inchi key:
    • InChIKey=WIOQNWTZBOQTEU-ZMHDXICWSA-J
  • molecular weight:
    • 861.604
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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