Difference between revisions of "CPD-19161"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SORBITOL SORBITOL] == * smiles: ** C(C(C(C(C(CO)O)O)O)O)O * inchi key: ** InChIKey=FBPFZTCFMRRE...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13187 CPD-13187] == * smiles: ** CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)...")
Line 1: Line 1:
 
[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SORBITOL SORBITOL] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13187 CPD-13187] ==
 
* smiles:
 
* smiles:
** C(C(C(C(C(CO)O)O)O)O)O
+
** CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)OC4(OC(C([O-])=O)=CC(O)C(O)4)))
 
* inchi key:
 
* inchi key:
** InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N
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** InChIKey=JMDPLHPAGLYHCI-DPADXCMISA-M
 
* common name:
 
* common name:
** D-sorbitol
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** unsaturated gellan tetrasaccharide
 
* molecular weight:
 
* molecular weight:
** 182.173    
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** 645.544    
 
* Synonym(s):
 
* Synonym(s):
** L-gulitol
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** β-D-4-deoxy-Δ4,5-GlcAp-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp
** D-glucitol
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** meglumine
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** iso-sorbide
+
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
 +
* [[RXN-12270]]
 
== 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-7644]]
 
 
== External links  ==
 
== External links  ==
* CAS : 50-70-4
 
* BIGG : 36018
 
* DRUGBANK : DB01638
 
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5780 5780]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940141 52940141]
* HMDB : HMDB00247
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* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C00794 C00794]
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* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.5576.html 5576]
+
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17924 17924]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=63254 63254]
* METABOLIGHTS : MTBLC17924
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{{#set: smiles=CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)OC4(OC(C([O-])=O)=CC(O)C(O)4)))}}
{{#set: smiles=C(C(C(C(C(CO)O)O)O)O)O}}
+
{{#set: inchi key=InChIKey=JMDPLHPAGLYHCI-DPADXCMISA-M}}
{{#set: inchi key=InChIKey=FBPFZTCFMRRESA-JGWLITMVSA-N}}
+
{{#set: common name=unsaturated gellan tetrasaccharide}}
{{#set: common name=D-sorbitol}}
+
{{#set: molecular weight=645.544   }}
{{#set: molecular weight=182.173   }}
+
{{#set: common name=β-D-4-deoxy-Δ4,5-GlcAp-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp}}
{{#set: common name=L-gulitol|D-glucitol|meglumine|iso-sorbide}}
+
{{#set: consumed by=RXN-12270}}
{{#set: consumed or produced by=RXN-7644}}
+

Revision as of 22:06, 17 March 2018

Metabolite CPD-13187

  • smiles:
    • CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)OC4(OC(C([O-])=O)=CC(O)C(O)4)))
  • inchi key:
    • InChIKey=JMDPLHPAGLYHCI-DPADXCMISA-M
  • common name:
    • unsaturated gellan tetrasaccharide
  • molecular weight:
    • 645.544
  • Synonym(s):
    • β-D-4-deoxy-Δ4,5-GlcAp-(1→4)-β-D-Glcp-(1→4)-α-L-Rhap-(1→3)-β-D-Glcp

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"CC2(OC(OC1(C(O)C(O)OC(CO)C(O)1))C(O)C(O)C2OC3(OC(CO)C(C(O)C(O)3)OC4(OC(C([O-])=O)=CC(O)C(O)4)))" cannot be used as a page name in this wiki.