Difference between revisions of "CPD-12443"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-HYDROXYMETHYLGLUTATHIONE S-HYDROXYMETHYLGLUTATHIONE] == * smiles: ** C(NC(=O)C(CSCO)NC(=O)CCC...")
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=R-2-HYDROXYSTEARATE R-2-HYDROXYSTEARATE] == * smiles: ** CCCCCCCCCCCCCCCCC(O)C(=O)[O-] * inchi...")
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-HYDROXYMETHYLGLUTATHIONE S-HYDROXYMETHYLGLUTATHIONE] ==
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== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=R-2-HYDROXYSTEARATE R-2-HYDROXYSTEARATE] ==
 
* smiles:
 
* smiles:
** C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]
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** CCCCCCCCCCCCCCCCC(O)C(=O)[O-]
 
* inchi key:
 
* inchi key:
** InChIKey=PIUSLWSYOYFRFR-BQBZGAKWSA-M
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** InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M
 
* common name:
 
* common name:
** S-(hydroxymethyl)glutathione
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** (R)-2-hydroxystearate
 
* molecular weight:
 
* molecular weight:
** 336.339    
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** 299.473    
 
* Synonym(s):
 
* Synonym(s):
** HMGSH
 
** HM-GSH
 
** GS-CH2-OH
 
** (hydroxymethyl)glutathione
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
* [[RXN-2962]]
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* [[RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 +
* [[RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.]]
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
* [[RXN0-276]]
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* [[ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.]]
 
== External links  ==
 
== External links  ==
* BIGG : hmgth
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* NCI:
 +
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=907 907]
 +
* CAS : 629-22-1
 
* PUBCHEM:
 
* PUBCHEM:
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25244017 25244017]
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** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=21145040 21145040]
* HMDB : HMDB04662
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* LIGAND-CPD:
 
* LIGAND-CPD:
** [http://www.genome.jp/dbget-bin/www_bget?C14180 C14180]
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** [http://www.genome.jp/dbget-bin/www_bget?C03042 C03042]
 +
* CHEMSPIDER:
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** [http://www.chemspider.com/Chemical-Structure.13600149.html 13600149]
 
* CHEBI:
 
* CHEBI:
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=58758 58758]
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** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57562 57562]
* METABOLIGHTS : MTBLC58758
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{{#set: smiles=CCCCCCCCCCCCCCCCC(O)C(=O)[O-]}}
{{#set: smiles=C(NC(=O)C(CSCO)NC(=O)CCC([N+])C(=O)[O-])C(=O)[O-]}}
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{{#set: inchi key=InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M}}
{{#set: inchi key=InChIKey=PIUSLWSYOYFRFR-BQBZGAKWSA-M}}
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{{#set: common name=(R)-2-hydroxystearate}}
{{#set: common name=S-(hydroxymethyl)glutathione}}
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{{#set: molecular weight=299.473   }}
{{#set: molecular weight=336.339   }}
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{{#set: consumed by=RXN66-474-R-2-HYDROXYSTEARATE/ATP/CO-A//CPD-14717/AMP/PPI.48.}}
{{#set: common name=HMGSH|HM-GSH|GS-CH2-OH|(hydroxymethyl)glutathione}}
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{{#set: produced by=RXN-11820-STEARIC_ACID/HYDROGEN-PEROXIDE//R-2-HYDROXYSTEARATE/WATER.58.}}
{{#set: consumed by=RXN-2962}}
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{{#set: reversible reaction associated=ACECOATRANS-RXN-CPD-14717/ACET//R-2-HYDROXYSTEARATE/ACETYL-COA.47.}}
{{#set: reversible reaction associated=RXN0-276}}
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Revision as of 15:36, 21 March 2018

Metabolite R-2-HYDROXYSTEARATE

  • smiles:
    • CCCCCCCCCCCCCCCCC(O)C(=O)[O-]
  • inchi key:
    • InChIKey=KIHBGTRZFAVZRV-QGZVFWFLSA-M
  • common name:
    • (R)-2-hydroxystearate
  • molecular weight:
    • 299.473
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

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