Difference between revisions of "CPD-14596"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14596 CPD-14596] == * smiles: ** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C...")
 
 
Line 3: Line 3:
 
* smiles:
 
* smiles:
 
** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
 
** CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
 +
* molecular weight:
 +
** 423.416   
 
* inchi key:
 
* inchi key:
 
** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
 
** InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
 
* common name:
 
* common name:
 
** neolinustatin
 
** neolinustatin
* molecular weight:
 
** 423.416   
 
 
* Synonym(s):
 
* Synonym(s):
 
** butanenitrile
 
** butanenitrile
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== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
 
== External links  ==
 
== External links  ==
* LIGAND-CPD:
 
** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
 
 
* CHEBI:
 
* CHEBI:
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
 
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=7506 7506]
 
* PUBCHEM:
 
* PUBCHEM:
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
 
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=119533 119533]
 +
* LIGAND-CPD:
 +
** [http://www.genome.jp/dbget-bin/www_bget?C08336 C08336]
 
* HMDB : HMDB38482
 
* HMDB : HMDB38482
 
{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
 
{{#set: smiles=CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C}}
 +
{{#set: molecular weight=423.416    }}
 
{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
 
{{#set: inchi key=InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N}}
 
{{#set: common name=neolinustatin}}
 
{{#set: common name=neolinustatin}}
{{#set: molecular weight=423.416    }}
 
 
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
 
{{#set: common name=butanenitrile|[(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]}}
 
{{#set: consumed by=RXN-13603}}
 
{{#set: consumed by=RXN-13603}}

Latest revision as of 19:16, 9 January 2019

Metabolite CPD-14596

  • smiles:
    • CCC(OC2(OC(COC1(OC(CO)C(O)C(O)C(O)1))C(O)C(O)C(O)2))(C#N)C
  • molecular weight:
    • 423.416
  • inchi key:
    • InChIKey=WOSYVGNDRYBQCQ-BARGLTKPSA-N
  • common name:
    • neolinustatin
  • Synonym(s):
    • butanenitrile
    • [(2R)-2-(6-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)-2-methylbutyronitrile)]

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links