Difference between revisions of "CPD-4586"

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(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-LACTOYL-GLUTATHIONE S-LACTOYL-GLUTATHIONE] == * smiles: ** CC(O)C(=O)SCC(C(NCC([O-])=O)=O)NC(...")
 
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4586 CPD-4586] == * smiles: ** C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=...")
 
(3 intermediate revisions by the same user not shown)
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[[Category:Metabolite]]
 
[[Category:Metabolite]]
−
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=S-LACTOYL-GLUTATHIONE S-LACTOYL-GLUTATHIONE] ==
+
== Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-4586 CPD-4586] ==
 
* smiles:
 
* smiles:
−
** CC(O)C(=O)SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O
+
** C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))
−
* inchi key:
+
−
** InChIKey=VDYDCVUWILIYQF-CSMHCCOUSA-M
+
 
* common name:
 
* common name:
−
** (R)-S-lactoylglutathione
+
** dihydrodemethylsterigmatocystin
 +
* inchi key:
 +
** InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N
 
* molecular weight:
 
* molecular weight:
−
** 378.376    
+
** 312.278    
 
* Synonym(s):
 
* Synonym(s):
−
** S-D-lactoylglutathione
 
−
** D-lactoylglutathione
 
  
 
== Reaction(s) known to consume the compound ==
 
== Reaction(s) known to consume the compound ==
−
* [[GLYOXII-RXN]]
+
* [[RXN-9500]]
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) known to produce the compound ==
 
== Reaction(s) of unknown directionality ==
 
== Reaction(s) of unknown directionality ==
−
* [[GLYOXI-RXN]]
 
 
== External links  ==
 
== External links  ==
−
* CAS : 25138-66-3
 
−
* PUBCHEM:
 
−
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46878377 46878377]
 
−
* HMDB : HMDB01066
 
 
* LIGAND-CPD:
 
* LIGAND-CPD:
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** [http://www.genome.jp/dbget-bin/www_bget?C03451 C03451]
+
** [http://www.genome.jp/dbget-bin/www_bget?C20444 C20444]
−
* CHEBI:
+
* CHEMSPIDER:
−
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57474 57474]
+
** [http://www.chemspider.com/Chemical-Structure.4588953.html 4588953]
−
* BIGG : lgt__S
+
* PUBCHEM:
−
{{#set: smiles=CC(O)C(=O)SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O}}
+
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=20832874 20832874]
−
{{#set: inchi key=InChIKey=VDYDCVUWILIYQF-CSMHCCOUSA-M}}
+
* HMDB : HMDB33658
−
{{#set: common name=(R)-S-lactoylglutathione}}
+
{{#set: smiles=C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))}}
−
{{#set: molecular weight=378.376   }}
+
{{#set: common name=dihydrodemethylsterigmatocystin}}
−
{{#set: common name=S-D-lactoylglutathione|D-lactoylglutathione}}
+
{{#set: inchi key=InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N}}
−
{{#set: consumed by=GLYOXII-RXN}}
+
{{#set: molecular weight=312.278   }}
−
{{#set: consumed or produced by=GLYOXI-RXN}}
+
{{#set: consumed by=RXN-9500}}

Latest revision as of 21:23, 21 March 2018

Metabolite CPD-4586

  • smiles:
    • C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))
  • common name:
    • dihydrodemethylsterigmatocystin
  • inchi key:
    • InChIKey=WUSMTEDKVPWFDN-BWKAKNAASA-N
  • molecular weight:
    • 312.278
  • Synonym(s):

Reaction(s) known to consume the compound

Reaction(s) known to produce the compound

Reaction(s) of unknown directionality

External links

"C4(=CC5(OC1(=C(C(O)=CC2(O[CH]3(OCC[CH](C1=2)3)))C(=O)C(C(O)=C4)=5)))" cannot be used as a page name in this wiki.



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